EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223488 - 19-(alpha-D-glucopyranosyloxy)isopimara-7,15-dien-3beta-ol

ChEBI IDCHEBI:223488
ChEBI Name19-(alpha-D-glucopyranosyloxy)isopimara-7,15-dien-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O7
Net Charge0
Average Mass466.615
Monoisotopic Mass466.29305
SMILESC=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CC[C@H](O)[C@]3(C)CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1
InChIInChI=1S/C26H42O7/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/h5-6,16-23,27-31H,1,7-14H2,2-4H3/t16-,17+,18+,19-,20+,21-,22+,23-,24-,25+,26+/m0/s1
InChIKeyMNLKJAWNYVVDPI-MGZCVINXSA-N
Species of MetaboliteComponentSourceComments
Paraconiothyriumspecies MY-42 (ncbitaxon:942913) - PubMed (21612804)
ChEBI Ontology
Outgoing Relation(s)
19-(alpha-D-glucopyranosyloxy)isopimara-7,15-dien-3beta-ol (CHEBI:223488) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2S,3R,4S,5S,6R)-2-[[(1S,2S,4aR,4bS,7S,10aR)-7-ethenyl-2-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
78441207ChemSpider