EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218215 - Geopyxin C

Default Structure
ChEBI IDCHEBI:218215
ChEBI NameGeopyxin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILESC=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)C(=O)CC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3O
InChIInChI=1S/C20H26O5/c1-10-11-4-5-12-19(3)13(8-15(22)20(12,9-11)16(10)23)18(2,17(24)25)7-6-14(19)21/h11-13,15,22H,1,4-9H2,2-3H3,(H,24,25)/t11-,12+,13-,15+,18-,19+,20-/m1/s1
InChIKeyCLGOGJHVMHIUDO-VRHUIZLCSA-N
Species of MetaboliteComponentSourceComments
Geopyxis (ncbitaxon:49968) - PubMed (22264149)
ChEBI Ontology
Outgoing Relation(s)
Geopyxin C (CHEBI:218215) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
(1R,2S,4S,5R,9S,10S,13R)-2-hydroxy-5,9-dimethyl-14-methylidene-8,15-dioxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Manual XrefsDatabases
28517014ChemSpider