EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215425 - Geopyxin D

ChEBI IDCHEBI:215425
ChEBI NameGeopyxin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
SMILESC=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3O
InChIInChI=1S/C20H28O5/c1-10-11-7-12(21)15-18(2)5-4-6-19(3,17(24)25)13(18)8-14(22)20(15,9-11)16(10)23/h11-15,21-22H,1,4-9H2,2-3H3,(H,24,25)/t11-,12+,13+,14+,15+,18-,19-,20+/m1/s1
InChIKeyBSPNTRYRRCCKFJ-UCWNZCKUSA-N
Species of MetaboliteComponentSourceComments
Geopyxis (ncbitaxon:49968) - PubMed (22264149)
ChEBI Ontology
Outgoing Relation(s)
Geopyxin D (CHEBI:215425) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
(1R,2S,4S,5R,9R,10S,11S,13S)-2,11-dihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Manual XrefsDatabases
28517015ChemSpider