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CHEBI:212815 - 5-Hydroxy-6-hydroxymethyl-13-hydroxyglucopiericidin A

ChEBI IDCHEBI:212815
ChEBI Name5-Hydroxy-6-hydroxymethyl-13-hydroxyglucopiericidin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H51NO12
Net Charge0
Average Mass641.755
Monoisotopic Mass641.34113
SMILESCOc1nc(C/C=C(\C)C[C@H](O)[C@H](OC)/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
InChIInChI=1S/C32H51NO12/c1-16(9-10-21-20(5)24(37)30(42-7)31(33-21)43-8)13-22(36)29(41-6)19(4)14-18(3)28(17(2)11-12-34)45-32-27(40)26(39)25(38)23(15-35)44-32/h9,11,14,18,22-23,25-29,32,34-36,38-40H,10,12-13,15H2,1-8H3,(H,33,37)/b16-9+,17-11+,19-14+/t18-,22+,23-,25-,26+,27-,28+,29-,32+/m1/s1
InChIKeyZBEUTQVXRWRGMI-WXDYUFRVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31298537)
ChEBI Ontology
Outgoing Relation(s)
5-Hydroxy-6-hydroxymethyl-13-hydroxyglucopiericidin A (CHEBI:212815) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
2-[(2E,5S,6R,7E,9R,10R,11E)-5,13-dihydroxy-6-methoxy-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-2,7,11-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
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88293812ChemSpider