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(+)-dehydrodiconiferyl acid ketone

Properties

Image

Occurences in reactions

MNX_ID

MNXM1366113

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₀H₁₇O₇

charge

-1

mass

369.349

reference

chebi:131936

InChIKey

WJCNWNKOLJMKJE-ZMOFONSMSA-M

InChI

InChI=1S/C20H18O7/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/h3-10,14,19,22H,1-2H3,(H,23,24)/p-1/b6-3+/t14-,19+/m0/s1

SMILES

[CH3:1][O:25][c:16]1[cH:9][c:12]([C@@H:19]2[C@@H:14]([CH:10]=[O:21])[c:13]3[cH:7][c:11](/[CH:3]=[CH:6]/[C:18](=[O:23])[OH:24])[cH:8][c:17]([O:26][CH3:2])[c:20]3[O:27]2)[cH:4][cH:5][c:15]1[OH:22]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:131936 chebi:131936	(+)-dehydrodiconiferyl acid ketone (+)-DCA-CL(1-) (+)-dehydrodiconiferyl acid aldehyde(1-) (2E)-3-[(2S,3S)-3-formyl-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate
seed.compound:cpd31634 seedM:cpd31634	(+)-DCA-CL (+)-dehydrodiconiferyl acid aldehyde (2E)-3-[(2S,3S)-3-formyl-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate
CHEBI:132251 chebi:132251	(+)-DCA-CL (+)-dehydrodiconiferyl acid aldehyde (2E)-3-[(2S,3S)-3-formyl-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid
seedM:M_cpd31634	secondary/obsolete/fantasy identifier