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afrormosin-7-O-glucoside-6''-O-malonate

Properties

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Occurences in reactions

MNX_ID

MNXM15769

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₆H₂₅O₁₃

charge

-1

mass

545.13006

reference

metacycM:CPD-10081

InChIKey

HOWDEROVXAADRI-UHFFFAOYSA-M

InChI

InChI=1S/C26H26O13/c1-34-13-5-3-12(4-6-13)15-10-36-16-8-18(17(35-2)7-14(16)22(15)30)38-26-25(33)24(32)23(31)19(39-26)11-37-21(29)9-20(27)28/h3-8,10,19,23-26,31-33H,9,11H2,1-2H3,(H,27,28)/p-1

SMILES

COc1ccc(-c2coc3cc(OC4OC(COC(=O)CC(=O)[O-])C(O)C(O)C4O)c(OC)cc3c2=O)cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-10081 metacycM:CPD-10081 seed.compound:cpd22545 seedM:cpd22545	afrormosin-7-O-glucoside-6''-O-malonate
hmdb:HMDB0039083	6''-O-Malonylwistin 3-oxo-3-[(3,4,5-Trihydroxy-6-{[6-methoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoate 3-oxo-3-[(3,4,5-trihydroxy-6-{[6-methoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid 3-oxo-3-[(3,4,5-trihydroxy-6-{[6-methoxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid 7,4'-Dihydroxy-6-methoxyisoflavone 7-O-(6''-succinylglucoside) Glycitein 7-O-(6''-succinylglucoside)
hmdb:HMDB39083 seedM:M_cpd22545	secondary/obsolete/fantasy identifier