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CHEBI:211175 - 19-(2-acetamido-2-deoxy-alpha-D-glucopyranosyloxy)isopimara-7,15-dien-3-one

ChEBI IDCHEBI:211175
ChEBI Name19-(2-acetamido-2-deoxy-alpha-D-glucopyranosyloxy)isopimara-7,15-dien-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H43NO7
Net Charge0
Average Mass505.652
Monoisotopic Mass505.30395
SMILESC=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC(=O)[C@]3(C)CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)C1
InChIInChI=1S/C28H43NO7/c1-6-26(3)11-9-18-17(13-26)7-8-20-27(18,4)12-10-21(32)28(20,5)15-35-25-22(29-16(2)31)24(34)23(33)19(14-30)36-25/h6-7,18-20,22-25,30,33-34H,1,8-15H2,2-5H3,(H,29,31)/t18-,19+,20+,22+,23+,24+,25-,26-,27+,28+/m0/s1
InChIKeyRYMRBZLMNSFPIZ-PCVLMWNPSA-N
Species of MetaboliteComponentSourceComments
Paraconiothyriumspecies MY-42 (ncbitaxon:942913) - PubMed (21612804)
ChEBI Ontology
Outgoing Relation(s)
19-(2-acetamido-2-deoxy-alpha-D-glucopyranosyloxy)isopimara-7,15-dien-3-one (CHEBI:211175) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
N-[(2S,3R,4R,5S,6R)-2-[[(1S,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-2-oxo-3,4,4b,5,6,8,10,10a-octahydrophenanthren-1-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Manual XrefsDatabases
78441493ChemSpider