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CHEBI:209566 - Phomophyllin I

ChEBI IDCHEBI:209566
ChEBI NamePhomophyllin I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O2
Net Charge0
Average Mass236.355
Monoisotopic Mass236.17763
SMILESC[C@H]1C(=O)[C@@H]2CC(C)(C)C[C@@H]2[C@@]2(C)CC[C@@]12O
InChIInChI=1S/C15H24O2/c1-9-12(16)10-7-13(2,3)8-11(10)14(4)5-6-15(9,14)17/h9-11,17H,5-8H2,1-4H3/t9-,10+,11-,14+,15+/m0/s1
InChIKeyYFIXPNVIFRNVFU-GLRJYAJPSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (29771527)
ChEBI Ontology
Outgoing Relation(s)
Phomophyllin I (CHEBI:209566) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2aR,3R,4aR,7aS,7bR)-2a-hydroxy-3,6,6,7b-tetramethyl-2,3,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-one
Manual XrefsDatabases
78439082ChemSpider