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CHEBI:203072 - Eupenicinicol A

ChEBI IDCHEBI:203072
ChEBI NameEupenicinicol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O4
Net Charge0
Average Mass322.445
Monoisotopic Mass322.21441
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)/C=C\O
InChIInChI=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
InChIKeyRQTOOVRGXPIEGF-UTWZGQCGSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies LG41 (ncbitaxon:1564184) - PubMed (25356913)
ChEBI Ontology
Outgoing Relation(s)
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
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58133399ChemSpider