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CHEBI:202902 - Phomopene

ChEBI IDCHEBI:202902
ChEBI NamePhomopene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H18O3
Net Charge0
Average Mass186.251
Monoisotopic Mass186.12559
SMILESCC(C)(O)[C@@H]1CC[C@@](C)(O)[C@H]2O[C@@H]12
InChIInChI=1S/C10H18O3/c1-9(2,11)6-4-5-10(3,12)8-7(6)13-8/h6-8,11-12H,4-5H2,1-3H3/t6-,7+,8+,10-/m1/s1
InChIKeyDRAPOCVWVCKZRC-CHIQAWFVSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies A123 (ncbitaxon:559193) - PubMed (26281194)
ChEBI Ontology
Outgoing Relation(s)
Phomopene (CHEBI:202902) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(1S,2R,5R,6S)-5-(2-hydroxypropan-2-yl)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-ol
Manual XrefsDatabases
29215173ChemSpider