isorhamnetin 3-sambubioside (CHEBI:177949)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:177949 - isorhamnetin 3-sambubioside

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:177949
ChEBI Name	isorhamnetin 3-sambubioside
Stars
Last Modified	13 March 2026
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H30O16
Net Charge	0
Average Mass	610.521
Monoisotopic Mass	610.15338
SMILES	COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1O
InChI	InChI=1S/C27H30O16/c1-38-14-4-9(2-3-11(14)30)23-24(20(35)17-12(31)5-10(29)6-15(17)40-23)42-27-25(21(36)19(34)16(7-28)41-27)43-26-22(37)18(33)13(32)8-39-26/h2-6,13,16,18-19,21-22,25-34,36-37H,7-8H2,1H3/t13-,16-,18+,19-,21+,22-,25-,26+,27+/m1/s1
InChIKey	YAZLWFHAKRXSJO-VUEQRQRWSA-N

Species of Metabolite	Component	Source	Comments
Bombyx mori (ncbitaxon:7091)	hemolymph (BTO:0000572)	MetaboLights (MTBLS3247)

ChEBI Ontology

Outgoing Relation(s)
	isorhamnetin 3-sambubioside (CHEBI:177949) is a flavonoids (CHEBI:72544)
	isorhamnetin 3-sambubioside (CHEBI:177949) is a glycoside (CHEBI:24400)

IUPAC Name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-β-D-xylopyranosyl-β-D-glucopyranoside

Manual Xrefs	Databases
115269494	ChemSpider
LMPK12110578	LIPID MAPS