CHEBI:203072 - Eupenicinicol A

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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 Eupenicinicol A
ChEBI ID CHEBI:203072
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H30O4
Net Charge 0
Average Mass 322.445
Monoisotopic Mass 322.21441
InChI InChI=1S/C19H30O4/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/h6-9,11-15,17-18,20-21,23H,5,10H2,1-4H3/b9-8-/t11-,12-,13-,14-,15-,17+,18+,19-/m1/s1
InChIKey RQTOOVRGXPIEGF-UTWZGQCGSA-N
SMILES O=C(/C=C\O)[C@@]1([C@@H]2[C@@H](C=C[C@@H]1[C@@H](CC)C)[C@H](O)[C@H](O)C[C@H]2C)C
Metabolite of Species Details
Penicilliumspecies LG41 (NCBI:txid1564184) See: PubMed
ChEBI Ontology
Outgoing Eupenicinicol A (CHEBI:203072) is a enone (CHEBI:51689)
IUPAC Name
(Z)-1-[(1S,2S,4aR,5S,6R,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-hydroxyprop-2-en-1-one
Manual Xref Database
58133399 ChemSpider
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