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3-(1,1-Dimethylallyl)scopoletin 7-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM117299

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

formula

C₂₁H₂₆O₉

charge

mass

422.15768

reference

InChIKey

USJIZVPRNYRDEY-UHFFFAOYSA-N

InChI

InChI=1S/C21H26O9/c1-5-21(2,3)11-6-10-7-13(27-4)14(8-12(10)28-19(11)26)29-20-18(25)17(24)16(23)15(9-22)30-20/h5-8,15-18,20,22-25H,1,9H2,2-4H3

SMILES

C=CC(C)(C)c1cc2cc(OC)c(OC3OC(CO)C(O)C(O)C3O)cc2oc1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:169019 chebi:169019	3-(1,1-Dimethylallyl)scopoletin 7-glucoside 6-methoxy-3-(2-methylbut-3-en-2-yl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
hmdb:HMDB0032853	3-(1,1-Dimethylallyl)scopoletin 7-glucoside 6-methoxy-3-(2-methylbut-3-en-2-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one 6-methoxy-3-(2-methylbut-3-en-2-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
hmdb:HMDB32853	secondary/obsolete/fantasy identifier