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CHEBI:209158 - 19-(2-acetamido-2-deoxy-alpha-D-glucopyranosyloxy)-3beta-hydroxyisopimara-8,15-dien-7-one

ChEBI IDCHEBI:209158
ChEBI Name19-(2-acetamido-2-deoxy-alpha-D-glucopyranosyloxy)-3beta-hydroxyisopimara-8,15-dien-7-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H43NO8
Net Charge0
Average Mass521.651
Monoisotopic Mass521.29887
SMILESC=C[C@@]1(C)CCC2=C(C1)C(=O)C[C@H]1[C@@](C)(CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)CC[C@]21C
InChIInChI=1S/C28H43NO8/c1-6-26(3)9-7-17-16(12-26)18(32)11-20-27(17,4)10-8-21(33)28(20,5)14-36-25-22(29-15(2)31)24(35)23(34)19(13-30)37-25/h6,19-25,30,33-35H,1,7-14H2,2-5H3,(H,29,31)/t19-,20-,21+,22-,23-,24-,25+,26+,27-,28-/m1/s1
InChIKeyRLULVWNWQFIJAC-ONIMNCRVSA-N
Species of MetaboliteComponentSourceComments
Paraconiothyriumspecies MY-42 (ncbitaxon:942913) - PubMed (21612804)
ChEBI Ontology
Outgoing Relation(s)
19-(2-acetamido-2-deoxy-alpha-D-glucopyranosyloxy)-3beta-hydroxyisopimara-8,15-dien-7-one (CHEBI:209158) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
N-[(2S,3R,4R,5S,6R)-2-[[(1S,2S,4aS,7S,10aR)-7-ethenyl-2-hydroxy-1,4a,7-trimethyl-9-oxo-2,3,4,5,6,8,10,10a-octahydrophenanthren-1-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Manual XrefsDatabases
78441480ChemSpider