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CHEBI:226464 - 19-(alpha-D-glucopyranosyloxy)-3beta-hydroxyisopimara-8,15-dien-7-one

ChEBI IDCHEBI:226464
ChEBI Name19-(alpha-D-glucopyranosyloxy)-3beta-hydroxyisopimara-8,15-dien-7-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O8
Net Charge0
Average Mass480.598
Monoisotopic Mass480.27232
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]3O)[C@@H](O)CC[C@]21C
InChIInChI=1S/C26H40O8/c1-5-24(2)8-6-15-14(11-24)16(28)10-18-25(15,3)9-7-19(29)26(18,4)13-33-23-22(32)21(31)20(30)17(12-27)34-23/h5,17-23,27,29-32H,1,6-13H2,2-4H3/t17-,18-,19+,20-,21+,22-,23+,24+,25-,26-/m1/s1
InChIKeyXYQOVSKSRKWGQS-DNIOFANMSA-N
Species of MetaboliteComponentSourceComments
Paraconiothyriumspecies MY-42 (ncbitaxon:942913) - PubMed (21612804)
ChEBI Ontology
Outgoing Relation(s)
19-(alpha-D-glucopyranosyloxy)-3beta-hydroxyisopimara-8,15-dien-7-one (CHEBI:226464) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(1S,2S,4aS,7S,10aR)-7-ethenyl-2-hydroxy-1,4a,7-trimethyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4,5,6,8,10,10a-octahydrophenanthren-9-one
Manual XrefsDatabases
78441436ChemSpider