CHEBI:204355 - Eujavanicol C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Eujavanicol C
ChEBI ID CHEBI:204355
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H30O5
Net Charge 0
Average Mass 338.444
Monoisotopic Mass 338.20932
InChI InChI=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
InChIKey IKHHODUJTQSREF-JPSZPDDFSA-N
SMILES O=C1C=C([C@@](C(=O)CCO)(C)[C@@H]2[C@@H]1[C@H](O)[C@H](O)C[C@H]2C)[C@@H](CC)C
Metabolite of Species Details
Penicillium javanicum (NCBI:txid28578) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
23310887 ChemSpider
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