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CHEBI:197600 - Clavirolide A

ChEBI IDCHEBI:197600
ChEBI NameClavirolide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESCC1=C2CC[C@@]3(C)C/C=C(\C)CC(=O)C[C@@H](C)C[C@@H](OC1=O)[C@]23O
InChIInChI=1S/C20H28O4/c1-12-5-7-19(4)8-6-16-14(3)18(22)24-17(20(16,19)23)11-13(2)10-15(21)9-12/h5,13,17,23H,6-11H2,1-4H3/b12-5+/t13-,17-,19-,20-/m1/s1
InChIKeyJVYXSCVDLGVIRM-NOYREHSQSA-N
Species of MetaboliteComponentSourceComments
Clavularia viridis (ncbitaxon:153213) - DOI (10.1021/jo00007a019)
ChEBI Ontology
Outgoing Relation(s)
Clavirolide A (CHEBI:197600) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,3S,7E,10S,17R)-17-hydroxy-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-7,13-diene-5,15-dione
Manual XrefsDatabases
10280427ChemSpider