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(-)-dehydrodiconiferyl acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM147621

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₂₀H₁₉O₇

charge

-1

mass

371.11363

reference

chebi:131932

InChIKey

FHYQIQMSODIFCP-WARYXCEBSA-M

InChI

InChI=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+/m1/s1

SMILES

COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)[O-])cc3[C@H]2CO)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:131932 chebi:131932	(-)-dehydrodiconiferyl acid (-)-DCA C(1-) (-)-dehydrodiconiferyl acid(1-) (2E)-3-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate glycosmisate spicatolignan B(1-)
seed.compound:cpd35154 seedM:cpd35154	(-)-DCA-C (-)-dehydrodiconiferyl acid (2E)-3-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl] acrylate
metacyc.compound:CPD-17077 metacycM:CPD-17077	(-)-dehydrodiconiferyl acid (-)-DCA-C (2E)-3-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl] acrylate
CHEBI:132245 chebi:132245	(2R,3S)-glycosmisic acid (-)-DCA C (-)-dehydrodiconiferyl acid (2E)-3-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid spicatolignan B
seedM:M_cpd35154	secondary/obsolete/fantasy identifier