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CHEBI:198154 - Geopyxin B

ChEBI IDCHEBI:198154
ChEBI NameGeopyxin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESC=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3O
InChIInChI=1S/C20H28O4/c1-11-12-5-6-13-18(2)7-4-8-19(3,17(23)24)14(18)9-15(21)20(13,10-12)16(11)22/h12-15,21H,1,4-10H2,2-3H3,(H,23,24)/t12-,13+,14+,15+,18+,19-,20-/m1/s1
InChIKeyVVTDDOIRDLEBIN-JFMLXJOGSA-N
Species of MetaboliteComponentSourceComments
Geopyxis (ncbitaxon:49968) - PubMed (22264149)
ChEBI Ontology
Outgoing Relation(s)
Geopyxin B (CHEBI:198154) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
(1R,2S,4S,5R,9S,10S,13R)-2-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Manual XrefsDatabases
28531184ChemSpider