CAS: 458-37-7 Fórmula molecular: C21H20O6 Peso molecular (g/mol): 368.39 Número MDL: MFCD00008365 Clave InChI: ZIUSSTSXXLLKKK-KOBPDPAPSA-N Sinónimo: curcumin i, halad, gelbwurz, kacha haldi, curcuma, turmeric, turmeric yellow, natural yellow 3, diferuloylmethane, curcumin PubChem CID: 969516 ChEBI: CHEBI:3962 SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O

CAS: 1667-99-8 Fórmula molecular: C23H13Cl2Na3O9S Peso molecular (g/mol): 605.277 Número MDL: MFCD00001615 Clave InChI: FUIZKNBTOOKONL-UHFFFAOYSA-K Sinónimo: Mordant Blue 29, C.I. 43825 PubChem CID: 54736314 Nombre IUPAC: trisidio;5-[(3-carboxi-5-metil-4-oxociclohexa-2,5-dien-1-ilideno)-(2,6-dicloro-3-sulfonatofenil)metil]-3-metil-2-oxidobenzoato SMILES: CC1=CC(=CC(=C1[O-])C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=C(C=CC(=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]

CAS: 331-39-5 Fórmula molecular: C₉H₈O₄ Peso molecular (g/mol): 180.16 Clave InChI: QAIPRVGONGVQAS-DUXPYHPUSA-N Sinónimo: 3-3,4-dihydroxyphenyl propenoic acid, trans-caffeic acid, e-3-3,4-dihydroxyphenyl acrylic acid, 3,4-dihydroxybenzeneacrylic acid, 2e-3-3,4-dihydroxyphenyl prop-2-enoic acid, 3,4-dihydroxy-trans-cinnamate, trans-caffeate, 3-3,4-dihydroxyphenyl acrylic acid, 3,4-dihydroxycinnamic acid, caffeic acid PubChem CID: 689043 ChEBI: CHEBI:16433 Nombre IUPAC: ácido (E)-3-(3,4-dihidroxifenil)prop-2-enoico SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O

CAS: 77-73-6 Fórmula molecular: C10H12 Peso molecular (g/mol): 132.206 Número MDL: MFCD00078246 Clave InChI: HECLRDQVFMWTQS-UHFFFAOYSA-N Sinónimo: 1,3-cyclopentadiene, dimer, 3a,4,7,7a-tetrahydro-1h-4,7-methanoindene, 4,7-methano-1h-indene, 3a,4,7,7a-tetrahydro, dcpd, dimer cyklopentadienu, dicyklopentadien, bicyclopentadiene, cyclopentadiene dimer, biscyclopentadiene, dicyclopentadiene PubChem CID: 6492 ChEBI: CHEBI:34695 SMILES: C1C=CC2C1C3CC2C=C3

CAS: 6089-09-4 Fórmula molecular: C₅H₆O₂ Peso molecular (g/mol): 98.1 Número MDL: MFCD00004407 Clave InChI: MLBYLEUJXUBIJJ-UHFFFAOYSA-M Sinónimo: acmc-1az7d, pent-4-yn-oic acid, pubchem3491, zlchem 796, pent4-ynoic acid, 4-pentynoicacid, pent-4-yn-1-oic acid, propargylacetic acid, 4-pentynoic acid PubChem CID: 22464 Nombre IUPAC: ácido pent-4-inoico SMILES: C#CCCC(=O)O

CAS: 2687-12-9 Fórmula molecular: C₉H₉Cl Peso molecular (g/mol): 152.62 Número MDL: MFCD00000986 Clave InChI: IWTYTFSSTWXZFU-QPJJXVBHSA-N Sinónimo: cinnamylchloride, 2i1adl56tx, unii-2i1adl56tx, e-3-chloroprop-1-enyl benzene, benzene, 3-chloropropenyl, 1e-3-chloroprop-1-en-1-yl benzene, trans-cinnamyl chloride, 3-chloro-1-phenyl-1-propene, 3-chloroprop-1-en-1-yl benzene, cinnamyl chloride PubChem CID: 639658 Nombre IUPAC: [(E)-3-cloroprop-1-enil]benceno SMILES: C1=CC=C(C=C1)C=CCCl

CAS: 536-74-3 Fórmula molecular: C8H6 Peso molecular (g/mol): 102.136 Número MDL: MFCD00008570 Clave InChI: UEXCJVNBTNXOEH-UHFFFAOYSA-N Sinónimo: phenylacethylene, ethynyl-benzene, acetylene, phenyl, ethyne, phenyl, phenyl acetylene, phenylacetylide, 1-phenylethyne, benzene, ethynyl, phenylethyne, phenylacetylene PubChem CID: 10821 Nombre IUPAC: etinilbenceno SMILES: C#CC1=CC=CC=C1

CAS: 106-24-1 Fórmula molecular: C₁₀H₁₈O Peso molecular (g/mol): 154.25 Número MDL: MFCD00002917 Clave InChI: GLZPCOQZEFWAFX-JXMROGBWSA-N Sinónimo: geraniol extra, 2e-3,7-dimethylocta-2,6-dien-1-ol, e-3,7-dimethylocta-2,6-dien-1-ol, trans-3,7-dimethyl-2,6-octadien-1-ol, e-nerol, e-geraniol, trans-geraniol, geranyl alcohol, lemonol, geraniol PubChem CID: 637566 ChEBI: CHEBI:17447 Nombre IUPAC: (2E)-3,7-dimetilocta-2,6-dien-1-ol SMILES: CC(=CCCC(=CCO)C)C

CAS: 2650-17-1 Fórmula molecular: C25H27N2NaO6S2 Peso molecular (g/mol): 538.61 Número MDL: MFCD00019481 Clave InChI: VVLFAAMTGMGYBS-KRQUPCAFSA-M Sinónimo: C.I. 42135, Acid blue 147 monosidium salt Nombre IUPAC: sodium 4-{[4-(ethylamino)-3-methylphenyl][(1Z,4Z)-4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene]methyl}-3-sulfobenzene-1-sulfonate SMILES: [Na+].CCNC1=C(C)C=C(C=C1)C(=C1/C=C\C(=N\CC)\C(C)=C1)\C1=C(C=C(C=C1)S([O-])(=O)=O)S(O)(=O)=O

CAS: 103-30-0 Fórmula molecular: C₁₄H₁₂ Peso molecular (g/mol): 180.25 Número MDL: MFCD00064300 Clave InChI: PJANXHGTPQOBST-VAWYXSNFSA-N Sinónimo: alpha,beta-diphenylethylene, trans-1,2-diphenylethene, bibenzal, bibenzylidine, bibenzylidene, trans-1,2-diphenylethylene, 1,2-diphenylethylene, stilbene, e-stilbene, trans-stilbene PubChem CID: 638088 ChEBI: CHEBI:36007 Nombre IUPAC: (E)-estilbeno SMILES: C1=CC=C(C=C1)C=CC2=CC=CC=C2

CAS: 85-01-8 Fórmula molecular: C14H10 Peso molecular (g/mol): 178.23 Número MDL: MFCD00001168 Clave InChI: YNPNZTXNASCQKK-UHFFFAOYSA-N Sinónimo: chembl46730, ccris 1233, unii-448j8e5bst, phenanthrene, pure, phenanthren german, phenantrin, ravatite, phenanthracene, phenanthrin, phenanthren PubChem CID: 995 ChEBI: CHEBI:28851 Nombre IUPAC: fenantreno SMILES: C1=CC=C2C(C=CC3=CC=CC=C23)=C1

CAS: 112-88-9 Fórmula molecular: C18H36 Peso molecular (g/mol): 252.486 Número MDL: MFCD00009003 Clave InChI: CCCMONHAUSKTEQ-UHFFFAOYSA-N Sinónimo: linear octadecene, 1-octadecene, analytical standard, alkenes, c14-20 .alpha., h5zuq6v4ak, octadecene-1, unii-h5zuq6v4ak, .alpha.-octadecene, alpha-octadecene, octadecene, 1-octadecene PubChem CID: 8217 ChEBI: CHEBI:30824 Nombre IUPAC: octadec-1-eno SMILES: CCCCCCCCCCCCCCCCC=C

CAS: 68-26-8 Fórmula molecular: C20H30O Peso molecular (g/mol): 286.459 Número MDL: MFCD00001552 Clave InChI: FPIPGXGPPPQFEQ-OVSJKPMPSA-N Sinónimo: alphasterol, chocola a, oleovitamin a, vitamin a alcohol, axerophthol, alphalin, vitamin a1, all-trans-retinol, vitamin a, retinol PubChem CID: 445354 ChEBI: CHEBI:17336 Nombre IUPAC: (2E,4E,6E,8E)-3,7-dimetil-9-(2,6,6-trimetilciclohexen-1-il)nona-2,4,6,8-tetraen-1-ol SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C

CAS: 300-57-2 Fórmula molecular: C₉H₁₀ Peso molecular (g/mol): 118.18 Clave InChI: HJWLCRVIBGQPNF-UHFFFAOYSA-N Sinónimo: 1-benzylethene, allyl benzene, 1-propene, 3-phenyl, 3-phenylpropene, 1-phenyl-2-propene, benzene, allyl, benzene, 2-propenyl, 3-phenyl-1-propene, 2-propenylbenzene, allylbenzene PubChem CID: 9309 Nombre IUPAC: prop-2-enilbenceno SMILES: C=CCC1=CC=CC=C1

CAS: 104-54-1 Fórmula molecular: C₉H₁₀O Peso molecular (g/mol): 134.18 Número MDL: MFCD00002921 Clave InChI: OOCCDEMITAIZTP-QPJJXVBHSA-N Sinónimo: styryl alcohol, trans-cinnamyl alcohol, 3-phenylallyl alcohol, e-3-phenylprop-2-en-1-ol, styryl carbinol, zimtalcohol, 3-phenylprop-2-en-1-ol, 3-phenyl-2-propen-1-ol, cinnamic alcohol, cinnamyl alcohol PubChem CID: 5315892 ChEBI: CHEBI:33227 Nombre IUPAC: (E)-3-fenilprop-2-en-1-ol SMILES: C1=CC=C(C=C1)C=CCO

CAS: 275-51-4 Fórmula molecular: C10H8 Peso molecular (g/mol): 128.174 Número MDL: MFCD00003810 Clave InChI: CUFNKYGDVFVPHO-UHFFFAOYSA-N Sinónimo: azulekeep, 82r6m9mglp, bicyclo 5.3.0-deca-2,4,6,8,10-pentaene, bicyclo 5.3.0-1,3,5,7,9-decapentaene, unii-82r6m9mglp, azulen, bicyclo 5.3.0 decapentaene, azunamic, cyclopentacycloheptene PubChem CID: 9231 ChEBI: CHEBI:31249 Nombre IUPAC: azuleno SMILES: C1=CC=C2C=CC=C2C=C1

CAS: 80-62-6 Fórmula molecular: C₅H₈O₂ Peso molecular (g/mol): 100.12 Número MDL: MFCD00008587 Clave InChI: VVQNEPGJFQJSBK-UHFFFAOYSA-N Sinónimo: methyl 2-methyl-2-propenoate, acryester m, diakon, methyl-methacrylat, pegalan, methyl 2-methylpropenoate, methyl methylacrylate, methacrylic acid methyl ester, methylmethacrylate, methyl methacrylate PubChem CID: 6658 ChEBI: CHEBI:34840 Nombre IUPAC: metil 2-metilprop-2-enoato SMILES: CC(=C)C(=O)OC

CAS: 112-90-3 Fórmula molecular: C18H37N Peso molecular (g/mol): 267.50 Número MDL: MFCD00066507 Clave InChI: QGLWBTPVKHMVHM-KTKRTIGZSA-N Sinónimo: 3811-68-5 unspecified acetate, 36505-83-6 hydrofluoride, 9-octadecenylamine 8ci, 9e octadec-9-enylamine, 1-amino-9-octadecene, e-octadec-9-en-1-amine, cis-9-octadecenylamine, 9-octadecen-1-amine, 9-octadecenylamine PubChem CID: 6258392 SMILES: CCCCCCCC\C=C/CCCCCCCCN

CAS: 541-59-3 Fórmula molecular: C8H4AgKN2O4 Peso molecular (g/mol): 339.10 Número MDL: MFCD00005494 Clave InChI: KWLWLQRUFFGWNG-UHFFFAOYSA-L Sinónimo: 5-hydroxy-2h-pyrrol-2-one, ccris 3408, unii-2519r1ugp8, 2,5-dihydro-1h-pyrrole-2,5-dione, 3-pyrroline-2,5-dione, maleic imide, maleinimide, 2,5-pyrroledione, 1h-pyrrole-2,5-dione, maleimide PubChem CID: 10935 ChEBI: CHEBI:16072 SMILES: [K+].[Ag+].O=C1[N-]C(=O)C=C1.O=C1[N-]C(=O)C=C1

CAS: 62758-13-8 Fórmula molecular: C12H6NNaO4 Peso molecular (g/mol): 251.173 Número MDL: MFCD00005036 Clave InChI: IVGPGQSSDLDOLH-UHFFFAOYSA-M Sinónimo: 7-Hydroxy-3H-phenoxazin-3-one 10-oxide, sodium salt PubChem CID: 112939 Nombre IUPAC: sodio; 10-oxido-7-oxofenoxazina-10-ium-3-olato SMILES: C1=CC2=C(C=C1[O-])OC3=CC(=O)C=CC3=[N+]2[O-].[Na+]

CAS: 18881-04-4 Fórmula molecular: C₁₀H₁₆O Peso molecular (g/mol): 152.24 Número MDL: MFCD00065444 Clave InChI: WONIGEXYPVIKFS-YIZRAAEISA-N Sinónimo: ?-cis-verbenol, ccris 5289, 1s-cis-verbenol, bicyclo 3.1.1 hept-3-en-2-ol, 4,6,6-trimethyl-, 1s,2s,5s, cis-verbenol, unii-xr9t57f48t, verbenol, s-cis, s-cis-verbenol PubChem CID: 87839 Nombre IUPAC: (1S,2S,5S)-4,6,6-trimetilbiciclo[3.1.1]hept-3-en-2-ol SMILES: CC1=CC(C2CC1C2(C)C)O

CAS: 930-68-7 Fórmula molecular: C6H8O Peso molecular (g/mol): 96.13 Número MDL: MFCD00001577 Clave InChI: FWFSEYBSWVRWGL-UHFFFAOYSA-N Sinónimo: 2-cyclohexene-1-one, 2-cyclohexenone-1, cyclohexen-1-one, cyclohexen-3-one, 1-cyclohexen-3-one, 3-oxocyclohexene, cyclohexenone, 2-cyclohexenone, cyclohex-2-enone, 2-cyclohexen-1-one PubChem CID: 13594 ChEBI: CHEBI:15977 Nombre IUPAC: ciclohex-2-en-1-ona SMILES: O=C1CCCC=C1

CAS: 129-00-0 Fórmula molecular: C₁₆H₁₀ Peso molecular (g/mol): 202.25 Número MDL: MFCD00004136 Clave InChI: BBEAQIROQSPTKN-UHFFFAOYSA-N Sinónimo: coal tar pitch volatiles:pyrene, pyrene def phenanthrene, ccris 1256, unii-9e0t7wfw93, pyren german, .beta.-pyrene, beta-pyrene, pyren, benzo def phenanthrene PubChem CID: 31423 ChEBI: CHEBI:39106 Nombre IUPAC: pireno SMILES: C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2

CAS: 92-31-9 Fórmula molecular: C15H16ClN3S Peso molecular (g/mol): 305.82 Número MDL: MFCD00011934 Clave InChI: HNONEKILPDHFOL-UHFFFAOYSA-M Sinónimo: Tolonium chloride, C.I. 52040, Basic blue 17 PubChem CID: 7083 SMILES: [Cl-].CN(C)C1=CC=C2N=C3C=C(C)C(N)=CC3=[S+]C2=C1

CAS: 110-83-8 Clave InChI: HGCIXCUEYOPUTN-UHFFFAOYSA-N Sinónimo: 3,4,5,6-tetrahydrobenzene, benzene, tetrahydro, cykloheksen, 1-cyclohexene, hexanaphthylene, benzenetetrahydride, 1,2,3,4-tetrahydrobenzene, benzene tetrahydride, cyclohex-1-ene, tetrahydrobenzene PubChem CID: 8079 ChEBI: CHEBI:36404 Nombre IUPAC: ciclohexeno SMILES: C1CCC=CC1

CAS: 14235-81-5 Fórmula molecular: C₈H₇N Peso molecular (g/mol): 117.15 Clave InChI: JXYITCJMBRETQX-UHFFFAOYSA-N Sinónimo: p-aminophenyl-acetylene, 4-ethynyl-phenylamine, 4-ethynylaniline, p-ethynylaniline, 4-aminophenyl acetylene, 1-amino-4-ethynylbenzene, p-aminophenylacetylene, benzenamine, 4-ethynyl, 4-ethynyl aniline, 4-aminophenylacetylene PubChem CID: 3760025 Nombre IUPAC: 4-etinilanilina SMILES: C#CC1=CC=C(C=C1)N

CAS: 57-88-5 Fórmula molecular: C27H46O Clave InChI: HVYWMOMLDIMFJA-DPAQBDIFSA-N Sinónimo: cholesterine, provitamin d, dusoran, dusoline, cordulan, cholestrin, cholesteryl alcohol, cholest-5-en-3beta-ol, cholesterin, cholesterol PubChem CID: 5997 ChEBI: CHEBI:16113

CAS: 81-88-9 Fórmula molecular: C28H31ClN2O3 Peso molecular (g/mol): 479.02 Número MDL: MFCD00011931 Clave InChI: PYWVYCXTNDRMGF-UHFFFAOYSA-N Sinónimo: C.I. 45170, Basic Violet 10 PubChem CID: 6694 ChEBI: CHEBI:52334 Nombre IUPAC: [9-(2-carboxifenilo)-6-(dietilamino)xanten-3-ilideno]-dietilazanio; cloruro SMILES: [Cl-].CCN(CC)C1=CC2=[O+]C3=CC(=CC=C3C(C3=CC=CC=C3C(O)=O)=C2C=C1)N(CC)CC

CAS: 598-32-3 Fórmula molecular: C4H8O Peso molecular (g/mol): 72.11 Número MDL: MFCD00004543 Clave InChI: MKUWVMRNQOOSAT-UHFFFAOYNA-N Sinónimo: 1-methylallyl alcohol, 2-methyl-2-propenol, 1-methyl-2-propenol, methyl vinyl carbinol, propenol, 1-methyl, 3-hydroxy-1-butene, 3-butene-2-ol, methyl vinylcarbinol, 1-buten-3-ol, 3-buten-2-ol PubChem CID: 11716 Nombre IUPAC: but-3-en-2-ol SMILES: CC(O)C=C