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Coumaric acids and derivatives
Description:
Aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
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3,4,5-Trimethoxycinnamic acidCas Number: 90-50-6 EC Number: 201-999-8Formula: C12H14O5 Molecular Weight: 238.24IUPAC Name: (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acidSMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)OInChIKey: YTFVRYKNXDADBI-SNAWJCMRSA-NInChI: InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+Synonyms: 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)- | 3,4,5-TRIMETHOXYCINNAMIC ACID | C9096D920O | Q30061098 | (e)-3,4,5-tr... -
2-TEDCCas Number: 132465-10-2 Compound CID: 6069552Formula: C16H13NO4S Molecular Weight: 315.34IUPAC Name: 2-thiophen-2-ylethyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoateSMILES: C1=CSC(=C1)CCOC(=O)C(=CC2=CC(=C(C=C2)O)O)C#NInChIKey: KCGLTUBCAGZLHP-XYOKQWHBSA-NInChI: InChI=1S/C16H13NO4S/c17-10-12(8-11-3-4-14(18)15(19)9-11)16(20)21-6-5-13-2-1-7-22-13/h1-4,7-9,18-19H,5-6H2/b12-8+Synonyms: 2-(1-Thienyl)ethyl 3,4-dihydroxybenzylidenecyanoacetate | (E)-2-(thiophen-2-yl)ethyl 2-cyano-3-(3,4-dihydroxyphenyl)a...
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(E)-Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)acrylateCas Number: 38157-08-3Formula: C19H20O4 Molecular Weight: 312.36IUPAC Name: ethyl (E)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoateSMILES: CCOC(=O)C=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OCInChIKey: MANFNAQSNYBICG-ZRDIBKRKSA-NInChI: InChI=1S/C19H20O4/c1-3-22-19(20)12-10-15-9-11-17(18(13-15)21-2)23-14-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3/b12-10+Synonyms: (E)-Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)acrylate|38157-08-3|ethyl (E)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en...
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2-Methoxycinnamic acidCas Number: 6099-03-2 EC Number: 228-047-4Formula: C10H10O3 Molecular Weight: 178.18IUPAC Name: (E)-3-(2-methoxyphenyl)prop-2-enoic acidSMILES: COC1=CC=CC=C1C=CC(=O)OInChIKey: FEGVSPGUHMGGBO-VOTSOKGWSA-NInChI: InChI=1S/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+Synonyms: 2-METHOXYCINNAMIC ACID (PREDOMINANTLY TRANS) | trans-2-ethoxycinnamic acid | 2-Methoxycinnamic acid, predominantly tr...
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4-Acetoxy-3-methoxycinnamic acidCas Number: 2596-47-6Formula: C12H12O5 Molecular Weight: 236.226IUPAC Name: (E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoic acidSMILES: CC(=O)OC1=C(C=C(C=C1)C=CC(=O)O)OCInChIKey: IHKNVZISLLDMOR-GQCTYLIASA-NInChI: InChI=1S/C12H12O5/c1-8(13)17-10-5-3-9(4-6-12(14)15)7-11(10)16-2/h3-7H,1-2H3,(H,14,15)/b6-4+Synonyms: 4-Acetoxy-3-methoxycinnamic acid|2596-47-6|Acetylferulic acid|3-(4-acetoxy-3-methoxyphenyl)acrylic acid|3-Methoxy-4-a...
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3-Methoxycinnamic acidCas Number: 6099-04-3 EC Number: 228-049-5Formula: C10H10O3 Molecular Weight: 178.18IUPAC Name: (E)-3-(3-methoxyphenyl)prop-2-enoic acidSMILES: COC1=CC=CC(=C1)C=CC(=O)OInChIKey: LZPNXAULYJPXEH-AATRIKPKSA-NInChI: InChI=1S/C10H10O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3,(H,11,12)/b6-5+Synonyms: (E)-3-(3-Methoxyphenyl)acrylic acid | (E)-3-(3-Methoxy-phenyl)-acrylic acid | HMS1538H06 | PS-5776 | 3-(3-methoxyphen...
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cis-2-Methoxycinnamic AcidCas Number: 14737-91-8Formula: C10H10O3 Molecular Weight: 178.19IUPAC Name: (Z)-3-(2-methoxyphenyl)prop-2-enoic acidSMILES: COC1=CC=CC=C1C=CC(=O)OInChIKey: FEGVSPGUHMGGBO-SREVYHEPSA-NInChI: InChI=1S/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6-Synonyms: NCGC00095523-02 | SDCCGMLS-0066551.P001 | CINNAMIC ACID, o-METHOXY-, (Z)- | NCGC00095523-01 | (Z)-o-Methoxycinnamic a...
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4,5-Dimethoxy-2-nitrocinnamic acidCas Number: 20567-38-8Formula: C11H11NO6 Molecular Weight: 253.21IUPAC Name: (E)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoic acidSMILES: COC1=C(C=C(C(=C1)C=CC(=O)O)[N+](=O)[O-])OCInChIKey: BZIRMMAJZSOLEW-ONEGZZNKSA-NInChI: InChI=1S/C11H11NO6/c1-17-9-5-7(3-4-11(13)14)8(12(15)16)6-10(9)18-2/h3-6H,1-2H3,(H,13,14)/b4-3+Synonyms: 20567-38-8|4,5-Dimethoxy-2-nitrocinnamic acid|3-(4,5-dimethoxy-2-nitrophenyl)acrylic acid|3,4-Dimethoxy-6-nitrocinnam...
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Ethyl 3,4-DihydroxycinnamateCas Number: 66648-50-8Formula: C11H12O4 Molecular Weight: 208.2IUPAC Name: ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateSMILES: CCOC(=O)C=CC1=CC(=C(C=C1)O)OInChIKey: WDKYDMULARNCIS-GQCTYLIASA-NInChI: InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+Synonyms: 4gqq | NSC619661 | NSC-619661 | ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate | (E)-ethyl caffeate | AC-34380 | HY-N6966...
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Sodium 3,4,5-TrimethoxycinnamateCas Number: 127427-04-7 Compound CID: 23665054Formula: C12H13NaO5 Molecular Weight: 260.22IUPAC Name: sodium;(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoateSMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)[O-].[Na+]InChIKey: CNDQKFLPUDASFN-FXRZFVDSSA-MInChI: InChI=1S/C12H14O5.Na/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3;/h4-7H,1-3H3,(H,13,14);/q;+1/p-1/b5-4+;Synonyms: ['3,4,5-Trimethoxycinnamic Acid Sodium Salt']
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Ferulic Acid Ethyl EsterCas Number: 4046-02-0 EC Number: 223-745-5Formula: C12H14O4 Molecular Weight: 222.24IUPAC Name: ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateSMILES: CCOC(=O)C=CC1=CC(=C(C=C1)O)OCInChIKey: ATJVZXXHKSYELS-FNORWQNLSA-NInChI: InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+Synonyms: AKOS015889646 | NSC14879 | NSC-14879 | Ethyl ferulate - Natural grade | NSC 14879 | ethyl 3-(4-hydroxy-3-methoxypheny...
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Rosmarinic acidCas Number: 20283-92-5 Compound CID: 5281792Formula: C18H16O8 Molecular Weight: 360.31IUPAC Name: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acidSMILES: OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c2ccc(O)c(O)c2InChIKey: DOUMFZQKYFQNTF-WUTVXBCWSA-NInChI: InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1Synonyms: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid | (2R)-3-(3,4-dihydroxyphen...
