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CHEBI:225283 - Penisarin A

ChEBI IDCHEBI:225283
ChEBI NamePenisarin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O5
Net Charge0
Average Mass424.537
Monoisotopic Mass424.22497
SMILESCOc1cc(C)c2c3c(c(=O)oc2c1)C[C@@H]([C@@]1(C)CC[C@H]2C(C)(C)C(=O)CC[C@@]21C)O3
InChIInChI=1S/C26H32O5/c1-14-11-15(29-6)12-17-21(14)22-16(23(28)30-17)13-20(31-22)26(5)9-7-18-24(2,3)19(27)8-10-25(18,26)4/h11-12,18,20H,7-10,13H2,1-6H3/t18-,20-,25-,26+/m0/s1
InChIKeyBLCHDGDLMXREHZ-KBCVXPAYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (33180498)
ChEBI Ontology
Outgoing Relation(s)
Penisarin A (CHEBI:225283) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
(2S)-2-[(1S,3aR,7aS)-1,4,4,7a-tetramethyl-5-oxo-3,3a,6,7-tetrahydro-2H-inden-1-yl]-7-methoxy-9-methyl-2,3-dihydrouro[3,2-c]chromen-4-one