CHEBI:218215 - Geopyxin C

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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 C
ChEBI ID CHEBI:218215
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26O5
Net Charge 0
Average Mass 346.423
Monoisotopic Mass 346.17802
InChI InChI=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
InChIKey CLGOGJHVMHIUDO-VRHUIZLCSA-N
SMILES O=C1[C@@]2([C@@H]([C@@](C(=O)O)(C)CC1)C[C@H](O)[C@]34[C@H]2CC[C@H](C3)C(C4=O)=C)C
Metabolite of Species Details
Geopyxis (NCBI:txid49968) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
28517014 ChemSpider
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