9-O-(40-O-methyl-b-D-glucopyranosyl) cytogenin (CHEBI:211746)

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CHEBI:211746 - 9-O-(40-O-methyl-b-D-glucopyranosyl) cytogenin

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ChEBI ID	CHEBI:211746
ChEBI Name	9-O-(40-O-methyl-b-D-glucopyranosyl) cytogenin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H22O10
Net Charge	0
Average Mass	398.364
Monoisotopic Mass	398.12130
SMILES	COc1cc(O)c2c(=O)oc(CO[C@H]3O[C@@H](CO)[C@H](OC)[C@H](O)[C@@H]3O)cc2c1
InChI	InChI=1S/C18H22O10/c1-24-9-3-8-4-10(27-17(23)13(8)11(20)5-9)7-26-18-15(22)14(21)16(25-2)12(6-19)28-18/h3-5,12,14-16,18-22H,6-7H2,1-2H3/t12-,14+,15-,16-,18-/m0/s1
InChIKey	SURCUMXPGKBBPL-LACBEWGXSA-N

Species of Metabolite	Component	Source	Comments
Conoideocrella (ncbitaxon:1105318)	-	DOI (10.1016/j.tet.2018.01.004)

ChEBI Ontology

Outgoing Relation(s)
	9-O-(40-O-methyl-b-D-glucopyranosyl) cytogenin (CHEBI:211746) is a isocoumarins (CHEBI:38758)

IUPAC Name
3-[[(2S,3S,4R,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-8-hydroxy-6-methoxyisochromen-1-one

Manual Xrefs	Databases
78442418	ChemSpider