2'',3''-Diacetylcosmosiin (CHEBI:176206)

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CHEBI:176206 - 2'',3''-Diacetylcosmosiin

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ChEBI ID	CHEBI:176206
ChEBI Name	2'',3''-Diacetylcosmosiin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H24O12
Net Charge	0
Average Mass	516.455
Monoisotopic Mass	516.12678
SMILES	CC(=O)OC1C(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)OC(CO)C(O)C1OC(C)=O
InChI	InChI=1S/C25H24O12/c1-11(27)33-23-22(32)20(10-26)37-25(24(23)34-12(2)28)35-15-7-16(30)21-17(31)9-18(36-19(21)8-15)13-3-5-14(29)6-4-13/h3-9,20,22-26,29-30,32H,10H2,1-2H3
InChIKey	RLRNEHZJFFGOEN-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	2'',3''-Diacetylcosmosiin (CHEBI:176206) is a flavonoids (CHEBI:72544)
	2'',3''-Diacetylcosmosiin (CHEBI:176206) is a glycoside (CHEBI:24400)

IUPAC Name
[3-acetyloxy-5-hydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-4-yl] acetate

Manual Xrefs	Databases
HMDB0037343	HMDB