Asebotin (CHEBI:179169)

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CHEBI:179169 - Asebotin

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ChEBI ID	CHEBI:179169
ChEBI Name	Asebotin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H26O10
Net Charge	0
Average Mass	450.440
Monoisotopic Mass	450.15260
SMILES	COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
InChI	InChI=1S/C22H26O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-3,5-6,8-9,17,19-24,26-29H,4,7,10H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChIKey	PQCIBORQLVRFMR-MIUGBVLSSA-N

ChEBI Ontology

Outgoing Relation(s)
	Asebotin (CHEBI:179169) is a flavonoids (CHEBI:72544)
	Asebotin (CHEBI:179169) is a glycoside (CHEBI:24400)

IUPAC Name
1-[2-hydroxy-4-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one

Manual Xrefs	Databases
9365239	ChemSpider