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CHEBI:225539 - JBIR-28

ChEBI IDCHEBI:225539
ChEBI NameJBIR-28
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILESC=C(C)[C@@]12O[C@@H]1[C@@]1(CO)C(=CC2=O)CC[C@@H](O)[C@@H]1C
InChIInChI=1S/C15H20O4/c1-8(2)15-12(18)6-10-4-5-11(17)9(3)14(10,7-16)13(15)19-15/h6,9,11,13,16-17H,1,4-5,7H2,2-3H3/t9-,11+,13+,14+,15-/m0/s1
InChIKeyABHMZEUMNLKTON-OANMRLRGSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (19282878)
ChEBI Ontology
Outgoing Relation(s)
JBIR-28 (CHEBI:225539) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1aR,6R,7R,7aR,7bR)-6-hydroxy-7a-(hydroxymethyl)-7-methyl-1a-prop-1-en-2-yl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one
Manual XrefsDatabases
27024514ChemSpider