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CHEBI:208839 - Penigrisacid B

ChEBI IDCHEBI:208839
ChEBI NamePenigrisacid B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O4
Net Charge0
Average Mass268.353
Monoisotopic Mass268.16746
SMILESC[C@@]12CC=C(C(=O)O)CC[C@H]1[C@@H]([C@](C)(O)CO)CC2
InChIInChI=1S/C15H24O4/c1-14-7-5-10(13(17)18)3-4-11(14)12(6-8-14)15(2,19)9-16/h5,11-12,16,19H,3-4,6-9H2,1-2H3,(H,17,18)/t11-,12-,14-,15+/m0/s1
InChIKeyFKKMURCACKTHIO-NZBPQXDJSA-N
Species of MetaboliteComponentSourceComments
Penicillium griseofulvum (ncbitaxon:5078) - PubMed (31470535)
ChEBI Ontology
Outgoing Relation(s)
Penigrisacid B (CHEBI:208839) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3S,3aS,8aR)-3-[(2S)-1,2-dihydroxypropan-2-yl]-8a-methyl-2,3,3a,4,5,8-hexahydro-1H-azulene-6-carboxylic acid
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81131462ChemSpider