EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205969 - Geopyxin E

ChEBI IDCHEBI:205969
ChEBI NameGeopyxin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O6
Net Charge0
Average Mass364.438
Monoisotopic Mass364.18859
SMILESC=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)[C@@H](O)[C@@H](O)C[C@@](C)(C(=O)O)[C@H]1C[C@@H]3O
InChIInChI=1S/C20H28O6/c1-9-10-4-5-12-19(3)13(6-14(22)20(12,7-10)15(9)23)18(2,17(25)26)8-11(21)16(19)24/h10-14,16,21-22,24H,1,4-8H2,2-3H3,(H,25,26)/t10-,11+,12+,13-,14+,16+,18-,19+,20-/m1/s1
InChIKeyOQJXOOXQHWUZEZ-FAIRXIINSA-N
Species of MetaboliteComponentSourceComments
Geopyxis (ncbitaxon:49968) - PubMed (22264149)
ChEBI Ontology
Outgoing Relation(s)
Geopyxin E (CHEBI:205969) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
(1R,2S,4S,5R,7S,8R,9S,10S,13R)-2,7,8-trihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Manual XrefsDatabases
28516725ChemSpider