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(-)-Maackiain-3-O-glucosyl-6''-O-malonate

Properties

Image

Occurences in reactions

MNX_ID

MNXM5350

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

formula

C₂₅H₂₄O₁₃

charge

mass

532.12169

reference

chebi:80396

InChIKey

ZHXRWFOBROFZAC-LVYGOKBNSA-N

InChI

InChI=1S/C25H24O13/c26-19(27)6-20(28)33-8-18-21(29)22(30)23(31)25(38-18)36-10-1-2-11-14(3-10)32-7-13-12-4-16-17(35-9-34-16)5-15(12)37-24(11)13/h1-5,13,18,21-25,29-31H,6-9H2,(H,26,27)/t13-,18+,21+,22-,23+,24-,25+/m0/s1

SMILES

O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)OC[C@H]2c4cc5c(cc4O[C@@H]32)OCO5)[C@H](O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd14948 seedM:cpd14948 CHEBI:80396 chebi:80396 kegg.compound:C16231 keggC:C16231	(-)-Maackiain-3-O-glucosyl-6''-O-malonate
metacyc.compound:CPD-4223 metacycM:CPD-4223 seed.compound:cpd24477 seedM:cpd24477	(-)-maackiain-3-O-glucoside-6''-malonate trifolirhizin-6''-O-malonat
keggC:M_C16231 seedM:M_cpd14948 seedM:M_cpd24477	secondary/obsolete/fantasy identifier