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CHEBI:210175 - Periconiastone A

ChEBI IDCHEBI:210175
ChEBI NamePericoniastone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O3
Net Charge0
Average Mass426.641
Monoisotopic Mass426.31340
SMILESCC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@]2(O)[C@@H]3C(=O)CC[C@@]4(C)[C@@H]3C(=O)C[C@]23[C@@H]4CC[C@]13C
InChIInChI=1S/C28H42O3/c1-16(2)17(3)7-8-18(4)19-9-14-28(31)24-20(29)10-12-25(5)22-11-13-26(19,6)27(22,28)15-21(30)23(24)25/h7-8,16-19,22-24,31H,9-15H2,1-6H3/t17-,18+,19+,22+,23+,24+,25+,26+,27+,28-/m0/s1
InChIKeyBDKWOFZKMOUQCD-KALULHIBSA-N
Species of MetaboliteComponentSourceComments
Periconia (ncbitaxon:97971) - PubMed (31580084)
ChEBI Ontology
Outgoing Relation(s)
Periconiastone A (CHEBI:210175) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,4R,5R,9R,10R,13R,14R,17S)-14-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-17-hydroxy-9,13-dimethylpentacyclo[8.7.0.01,13.04,9.05,17]heptadecane-3,6-dione