CHEBI:225001 - Geopyxin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Geopyxin A
ChEBI ID CHEBI:225001
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O5
Net Charge 0
Average Mass 348.439
Monoisotopic Mass 348.19367
InChI InChI=1S/C20H28O5/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/h11-15,21-22H,1,4-9H2,2-3H3,(H,24,25)/t11-,12+,13-,14+,15+,18-,19+,20-/m1/s1
InChIKey LRECIABFFPIQSO-BALPIQRXSA-N
SMILES O=C1C(=C)[C@@H]2CC[C@@H]3[C@@]1([C@@H](O)C[C@@H]4[C@](C(=O)O)(CC[C@@H]([C@@]34C)O)C)C2
Metabolite of Species Details
Geopyxis (NCBI:txid49968) See: PubMed
ChEBI Ontology
Outgoing Geopyxin A (CHEBI:225001) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name
(1R,2S,4S,5R,8S,9S,10S,13R)-2,8-dihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Manual Xref Database
26640021 ChemSpider
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