13-Dimethoxy glucopiericidin A (CHEBI:212839)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212839 - 13-Dimethoxy glucopiericidin A

Take structure to advanced search

ChEBI ID	CHEBI:212839
ChEBI Name	13-Dimethoxy glucopiericidin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C33H51NO11
Net Charge	0
Average Mass	637.767
Monoisotopic Mass	637.34621
SMILES	COc1nc(C/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/C(OC)OC)c(C)c(=O)c1OC
InChI	InChI=1S/C33H51NO11/c1-18(13-14-23-22(5)26(36)31(42-8)32(34-23)43-9)11-10-12-19(2)15-20(3)30(21(4)16-25(40-6)41-7)45-33-29(39)28(38)27(37)24(17-35)44-33/h10,12-13,15-16,20,24-25,27-30,33,35,37-39H,11,14,17H2,1-9H3,(H,34,36)/b12-10+,18-13+,19-15+,21-16+/t20-,24-,27-,28+,29-,30-,33+/m1/s1
InChIKey	ZJVOACHGLZFOII-SWSUXQPCSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	13-Dimethoxy glucopiericidin A (CHEBI:212839) is a terpene glycoside (CHEBI:61777)

IUPAC Name
2-[(2E,5E,7E,9R,10R,11E)-13,13-dimethoxy-3,7,9,11-tetramethyl-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
88293816	ChemSpider