7-Demethyl-13-hydroxyglucopiericidin A (CHEBI:212773)

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CHEBI:212773 - 7-Demethyl-13-hydroxyglucopiericidin A

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ChEBI ID	CHEBI:212773
ChEBI Name	7-Demethyl-13-hydroxyglucopiericidin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H45NO10
Net Charge	0
Average Mass	579.687
Monoisotopic Mass	579.30435
SMILES	COc1nc(C/C=C(\C)C/C=C/C=C/[C@@H](C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(C)=C/CO)c(C)c(=O)c1OC
InChI	InChI=1S/C30H45NO10/c1-17(12-13-21-20(4)23(34)28(38-5)29(31-21)39-6)10-8-7-9-11-18(2)27(19(3)14-15-32)41-30-26(37)25(36)24(35)22(16-33)40-30/h7-9,11-12,14,18,22,24-27,30,32-33,35-37H,10,13,15-16H2,1-6H3,(H,31,34)/b8-7+,11-9+,17-12+,19-14+/t18-,22-,24-,25+,26-,27-,30+/m1/s1
InChIKey	QLZVQOIKVLKDDU-QEHCVNHDSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (31298537)

ChEBI Ontology

Outgoing Relation(s)
	7-Demethyl-13-hydroxyglucopiericidin A (CHEBI:212773) is a O-acyl carbohydrate (CHEBI:52782)

IUPAC Name
2-[(2E,5E,7E,9R,10R,11E)-13-hydroxy-3,9,11-trimethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one

Manual Xrefs	Databases
88293805	ChemSpider