EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207165 - 19-(alpha-D-glucopyranosyloxy)isopimara-7,15-dien-3-one

ChEBI IDCHEBI:207165
ChEBI Name19-(alpha-D-glucopyranosyloxy)isopimara-7,15-dien-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O7
Net Charge0
Average Mass464.599
Monoisotopic Mass464.27740
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]2O)C1
InChIInChI=1S/C26H40O7/c1-5-24(2)10-8-16-15(12-24)6-7-18-25(16,3)11-9-19(28)26(18,4)14-32-23-22(31)21(30)20(29)17(13-27)33-23/h5-6,16-18,20-23,27,29-31H,1,7-14H2,2-4H3/t16-,17+,18+,20+,21-,22+,23-,24-,25+,26+/m0/s1
InChIKeyHQWFRECCMSDSQZ-SVDXPMMNSA-N
Species of MetaboliteComponentSourceComments
Paraconiothyriumspecies MY-42 (ncbitaxon:942913) - PubMed (21612804)
ChEBI Ontology
Outgoing Relation(s)
19-(alpha-D-glucopyranosyloxy)isopimara-7,15-dien-3-one (CHEBI:207165) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(1S,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4b,5,6,8,10,10a-octahydrophenanthren-2-one
Manual XrefsDatabases
78441076ChemSpider