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CHEBI:204355 - Eujavanicol C

ChEBI IDCHEBI:204355
ChEBI NameEujavanicol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O5
Net Charge0
Average Mass338.444
Monoisotopic Mass338.20932
SMILESCC[C@@H](C)C1=CC(=O)[C@H]2[C@H](O)[C@H](O)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)CCO
InChIInChI=1S/C19H30O5/c1-5-10(2)12-9-13(21)16-17(11(3)8-14(22)18(16)24)19(12,4)15(23)6-7-20/h9-11,14,16-18,20,22,24H,5-8H2,1-4H3/t10-,11-,14-,16-,17+,18-,19-/m1/s1
InChIKeyIKHHODUJTQSREF-JPSZPDDFSA-N
Species of MetaboliteComponentSourceComments
Penicillium javanicum (ncbitaxon:28578) - PubMed (17711347)
ChEBI Ontology
Outgoing Relation(s)
Eujavanicol C (CHEBI:204355) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4R,4aS,5R,7R,8S,8aR)-3-[(2R)-butan-2-yl]-7,8-dihydroxy-4-(3-hydroxypropanoyl)-4,5-dimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-one
Manual XrefsDatabases
23310887ChemSpider