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(+)-dehydrodiconiferyl acid

PropertiesImage
MNX_IDMNXM162510 Image of MNXM162510
referencechebi:131937
formulaC20H19O7
global charge-1
mol weight371.365
InChIKeyFHYQIQMSODIFCP-ZMOFONSMSA-M
InChIInChI=1S/C20H20O7/c1-25-16-9-12(4-5-15(16)22)19-14(10-21)13-7-11(3-6-18(23)24)8-17(26-2)20(13)27-19/h3-9,14,19,21-22H,10H2,1-2H3,(H,23,24)/p-1/b6-3+/t14-,19+/m0/s1
SMILESCOC1=CC([C@H]2OC3=C(OC)C=C(/C=C/C(=O)[O-])C=C3[C@@H]2CO)=CC=C1O
MNX internals
InChI (mnx)InChI=1/C20H20O7/c1-25-16-9-12(4-5-15(16)22)19-14(10-21)13-7-11(3-6-18(23)24)8-17(26-2)20(13)27-19/h3-9,14,19,21-22H,10H2,1-2H3,(H,23,24)/b6-3+/t14-,19+/m0/s1 Image of MNXM162510
SMILES (mnx)[CH3:1][O:25][C:16]1=[C:15]([OH:22])[CH:5]=[CH:4][C:12]([C@@H:19]2[C@@H:14]([CH2:10][OH:21])[C:13]3=[C:20]([C:17]([O:26][CH3:2])=[CH:8][C:11](/[CH:3]=[CH:6]/[C:18](=[O:23])[OH:24])=[CH:7]3)[O:27]2)=[CH:9]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:131937
chebi:131937
FHYQIQMSODIFCP-ZMOFONSMSA-M 		(+)-dehydrodiconiferyl acid
(+)-DCA C(1-)
(2E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate
ent-glycosmisate

seed.compound:cpd35965
seedM:cpd35965
FHYQIQMSODIFCP-ZMOFONSMSA-M 		(+)-DCA-C
(+)-dehydrodiconiferyl acid
(2E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl] acrylate

metacyc.compound:CPD-18963
metacycM:CPD-18963
FHYQIQMSODIFCP-ZMOFONSMSA-M 		(+)-dehydrodiconiferyl acid
(+)-DCA-C
(2E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl] acrylate

CHEBI:132257
chebi:132257
FHYQIQMSODIFCP-ZMOFONSMSA-N 		(2S,3R)-glycosmisic acid
(+)-DCA C
(+)-dehydrodiconiferyl acid
(2E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid
ent-glycosmisic acid
ent-spicatolignan B

seedM:M_cpd35965 		secondary/obsolete/fantasy identifier