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CHEBI:212409 - Eujavanicol B

ChEBI IDCHEBI:212409
ChEBI NameEujavanicol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H32O4
Net Charge0
Average Mass324.461
Monoisotopic Mass324.23006
SMILESCC[C@@H](C)[C@H]1C=C[C@H]2[C@H](O)[C@@H](O)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)CCO
InChIInChI=1S/C19H32O4/c1-5-11(2)14-7-6-13-17(12(3)10-15(21)18(13)23)19(14,4)16(22)8-9-20/h6-7,11-15,17-18,20-21,23H,5,8-10H2,1-4H3/t11-,12-,13-,14-,15+,17+,18+,19-/m1/s1
InChIKeyKOPHBZXWJSZGMB-JZLXJRMKSA-N
Species of MetaboliteComponentSourceComments
Penicillium javanicum (ncbitaxon:28578) - PubMed (17711347)
ChEBI Ontology
Outgoing Relation(s)
Eujavanicol B (CHEBI:212409) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
1-[(1S,2S,4aR,5S,6S,8R,8aS)-2-[(2R)-butan-2-yl]-5,6-dihydroxy-1,8-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-hydroxypropan-1-one
Manual XrefsDatabases
23310886ChemSpider