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CHEBI:204015 - 11-dehydroxyepoxyphomalin A

ChEBI IDCHEBI:204015
ChEBI Name11-dehydroxyepoxyphomalin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O4
Net Charge0
Average Mass360.494
Monoisotopic Mass360.23006
SMILESCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1C(=O)C(CO)=C[C@H]2O
InChIInChI=1S/C22H32O4/c1-13-6-7-16-20(2,3)8-5-9-21(16,4)15(13)11-22-17(24)10-14(12-23)18(25)19(22)26-22/h6,10,15-17,19,23-24H,5,7-9,11-12H2,1-4H3/t15-,16-,17+,19+,21+,22-/m0/s1
InChIKeyCVIHRYGKKDVPRR-FZQGVADYSA-N
Species of MetaboliteComponentSourceComments
Didymella (ncbitaxon:55170) - PubMed (27135759)
ChEBI Ontology
Outgoing Relation(s)
11-dehydroxyepoxyphomalin A (CHEBI:204015) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,5R,6S)-6-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
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78437083ChemSpider