EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224857 - Phlebiakauranol alcohol

ChEBI IDCHEBI:224857
ChEBI NamePhlebiakauranol alcohol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O6
Net Charge0
Average Mass368.470
Monoisotopic Mass368.21989
SMILESCC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@](O)(CO)[C@@](O)(C1)[C@@H](O)C(=O)[C@@]32O
InChIInChI=1S/C20H32O6/c1-15(2)6-4-7-16(3)12(15)5-8-17-9-18(24,11-21)19(25,10-17)13(22)14(23)20(16,17)26/h12-13,21-22,24-26H,4-11H2,1-3H3/t12-,13+,16-,17-,18+,19-,20+/m1/s1
InChIKeyBFCXAQDHYUIGMN-MSSXRYPISA-N
Species of MetaboliteComponentSourceComments
Punctularia (ncbitaxon:133746) - PubMed (3583914)
ChEBI Ontology
Outgoing Relation(s)
Phlebiakauranol alcohol (CHEBI:224857) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
(1R,4R,9R,10R,12R,13R,14S)-10,12,13,14-tetrahydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-11-one
Manual XrefsDatabases
78443262ChemSpider