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Phenylpropanoids and polyketides
Description:
Organic compounds that are synthesized either from the amino acid phenylalanine (phenylpropanoids) or the decarboxylative condensation of malonyl-CoA (polyketides). Phenylpropanoids are aromatic compounds based on the phenylpropane skeleton. Polyketides usually consist of alternating carbonyl and methylene groups (beta-polyketones), biogenetically derived from repeated condensation of acetyl coenzyme A (via malonyl coenzyme A), and usually the compounds derived from them by further condensations.
Ancestors:
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3'，4'，5，7-TETRAMETHOXYFLAVONECas Number: 855-97-0 Compound CID: 631170Formula: C19H18O6 Molecular Weight: 342.35IUPAC Name: 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-oneSMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC)OCInChIKey: CLXVBVLQKLQNRQ-UHFFFAOYSA-NInChI: InChI=1S/C19H18O6/c1-21-12-8-17(24-4)19-13(20)10-15(25-18(19)9-12)11-5-6-14(22-2)16(7-11)23-3/h5-10H,1-4H3 -
1，8-dioxacyclotetradecane-2，9-dioneCas Number: 1020-83-3 Compound CID: 10868051Formula: C12H20O4 Molecular Weight: 228.28IUPAC Name: 1,8-dioxacyclotetradecane-2,9-dioneSMILES: C1CCC(=O)OCCCCCC(=O)OCC1InChIKey: NUTDOUGNQAMWBU-UHFFFAOYSA-NInChI: InChI=1S/C12H20O4/c13-11-7-3-1-5-9-15-12(14)8-4-2-6-10-16-11/h1-10H2
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2-(2-methylphenyl)propanoic acidCas Number: 62835-95-4Formula: C10H12O2 Molecular Weight: 164.08SMILES: CC1=CC=CC=C1C(C)C(=O)OInChIKey: MQHULLOCAJMXJU-UHFFFAOYSA-NInChI: InChI=1S/C10H12O2/c1-7-5-3-4-6-9(7)8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)
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1，8，15，22-tetrazacyclooctacosane-2，9，16，23-tetroneCas Number: 5834-63-9 Compound CID: 79912IUPAC Name: 1,8,15,22-tetrazacyclooctacosane-2,9,16,23-tetroneSMILES: C1CCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCC1InChIKey: LAIGWNLGTIDKPL-UHFFFAOYSA-NInChI: show more
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2'，6'-DihydroxypinobanksinCas Number: 80366-15-0 Compound CID: 71307292IUPAC Name: 2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-oneSMILES: C1=CC(=C(C(=C1)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OInChIKey: NBQYBZYBTNQEQG-UHFFFAOYSA-NInChI: InChI=1S/C15H12O7/c16-6-4-9(19)12-10(5-6)22-15(14(21)13(12)20)11-7(17)2-1-3-8(11)18/h1-5,14-19,21H
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1-MethoxyphaseollidinCas Number: 65428-13-9Formula: C21H22O5 Molecular Weight: 354.396SMILES: CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C(=CC(=C4)O)OC)O)CInChIKey: YKTZRMXYANFKQR-YCRPNKLZSA-NInChI: InChI=1S/C21H22O5/c1-11(2)4-5-14-16(23)7-6-13-15-10-25-18-9-12(22)8-17(24-3)19(18)21(15)26-20(13)14/h4,6-9,15,21-23H,5,10H2,1-3H3/t15-,21+/m0/s1
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1-(4-Hydroxyphenyl)-2-phenylethan-1，2-dionCas Number: 38469-73-7Formula: C14H10O3 Molecular Weight: 226.2274SMILES: C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OInChIKey: IVUXDMQTCNWTDP-UHFFFAOYSA-NInChI: InChI=1S/C14H10O3/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9,15H
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(E)-3-(3，4，5-Trihydroxyphenyl)acrylic acidIUPAC Name: (E)-3-(3,4,5-trihydroxyphenyl)prop-2-enoic acidSMILES: C1=C(C=C(C(=C1O)O)O)C=CC(=O)OInChIKey: ACEAELOMUCBPJP-OWOJBTEDSA-NInChI: InChI=1S/C9H8O5/c10-6-3-5(1-2-8(12)13)4-7(11)9(6)14/h1-4,10-11,14H,(H,12,13)/b2-1+
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(E)-1-(2，4-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-oneCas Number: 13323-67-6 Compound CID: 5372365IUPAC Name: (E)-1-(2,4-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-oneSMILES: COC1=C(C=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)O)O)OInChIKey: WGVFVBIJKULVHA-QHHAFSJGSA-NInChI: InChI=1S/C16H14O5/c1-21-16-7-3-10(8-15(16)20)2-6-13(18)12-5-4-11(17)9-14(12)19/h2-9,17,19-20H,1H3/b6-2+
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(5S，6R)-5，6-Diphenyl-2-morpholinoneCas Number: 144538-22-7 Compound CID: 10354905Formula: C16H15NO2 Molecular Weight: 253.3IUPAC Name: (5S,6R)-5,6-diphenylmorpholin-2-oneSMILES: C1C(=O)OC(C(N1)C2=CC=CC=C2)C3=CC=CC=C3InChIKey: LTPOSIZJPSDSIL-JKSUJKDBSA-NInChI: InChI=1S/C16H15NO2/c18-14-11-17-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-10,15-17H,11H2/t15-,16+/m0/s1
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(E)-methyl 3-(o-tolyl)acrylateCas Number: 130451-86-4 Compound CID: 10176349Formula: C11H12O2 Molecular Weight: 176.21IUPAC Name: methyl (E)-3-(2-methylphenyl)prop-2-enoateSMILES: CC1=CC=CC=C1C=CC(=O)OCInChIKey: FVSMIMXZNUZTOE-BQYQJAHWSA-NInChI: InChI=1S/C11H12O2/c1-9-5-3-4-6-10(9)7-8-11(12)13-2/h3-8H,1-2H3/b8-7+
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hydrochlorideCas Number: 102879-44-7Formula: C9H12ClNO2 Molecular Weight: 201.6501SMILES: C1=CC(=CC(=C1)N)CCC(=O)O.ClInChIKey: QBOBODDISCLHPG-UHFFFAOYSA-NInChI: InChI=1S/C9H11NO2.ClH/c10-8-3-1-2-7(6-8)4-5-9(11)12;/h1-3,6H,4-5,10H2,(H,11,12);1H
