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(-)-5'-demethylyatein

Properties

Image

Occurences in reactions

MNX_ID

MNXM162440

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

formula

C₂₁H₂₂O₇

charge

mass

386.13655

reference

chebi:90894

InChIKey

PFCOJAPJHVVASV-LSDHHAIUSA-N

InChI

InChI=1S/C21H22O7/c1-24-19-9-13(7-16(22)20(19)25-2)6-15-14(10-26-21(15)23)5-12-3-4-17-18(8-12)28-11-27-17/h3-4,7-9,14-15,22H,5-6,10-11H2,1-2H3/t14-,15+/m0/s1

SMILES

COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(O)c1OC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:90894 chebi:90894	(-)-5'-demethylyatein (-)-3-desmethylyatein (-)-5'-desmethylyatein (R,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3-hydroxy-4,5-dimethoxyphenyl)methyl]oxolan-2-one 3-demethylyatein
kegg.compound:C21184 keggC:C21184	(-)-5'-Demethylyatein (3R,4R)-4-(2H-1,3-Benzodioxol-5-ylmethyl)-3-[(3-hydroxy-4,5-dimethoxyphenyl)methyl]oxolan-2-one
metacyc.compound:CPD-18755 metacycM:CPD-18755 seed.compound:cpd32120 seedM:cpd32120	(-)-5'-demethylyatein (3R,4R)-4-(2H-1,3-benzodioxol-5-ylmethyl)-3-[(3-hydroxy-4,5-dimethoxyphenyl)methyl]oxolan-2-one
keggC:M_C21184 seedM:M_cpd32120	secondary/obsolete/fantasy identifier