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(R)-Isobyakangelicin 3'-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM115382

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

formula

C₂₃H₂₈O₁₂

charge

mass

496.15808

reference

chebi:168553

InChIKey

IDHOCZIKYQXYFE-UHFFFAOYSA-N

InChI

InChI=1S/C23H28O12/c1-23(2,35-22-17(29)16(28)15(27)12(8-24)33-22)13(25)9-32-18-10-4-5-14(26)34-20(10)21(30-3)19-11(18)6-7-31-19/h4-7,12-13,15-17,22,24-25,27-29H,8-9H2,1-3H3

SMILES

COc1c2occc2c(OCC(O)C(C)(C)OC2OC(CO)C(O)C(O)C2O)c2ccc(=O)oc12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168553 chebi:168553	(R)-Isobyakangelicin 3'-glucoside 4-[2-hydroxy-3-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-9-methoxyuro[3,2-g]chromen-7-one
hmdb:HMDB0039026	(R)-Isobyakangelicin 3'-glucoside 4-(2-hydroxy-3-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butoxy)-9-methoxy-7H-furo[3,2-g]chromen-7-one 4-(2-hydroxy-3-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butoxy)-9-methoxyfuro[3,2-g]chromen-7-one
hmdb:HMDB39026	secondary/obsolete/fantasy identifier