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CHEBI:208924 - Asperiene A

ChEBI IDCHEBI:208924
ChEBI NameAsperiene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O7
Net Charge0
Average Mass420.502
Monoisotopic Mass420.21480
SMILESC[C@@H](O)[C@H](O)C=CC=CC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12
InChIInChI=1S/C23H32O7/c1-14(24)16(25)8-5-6-9-18(26)30-17-12-15-13-29-20(27)23(15,28)22(4)11-7-10-21(2,3)19(17)22/h5-6,8-9,12,14,16-17,19,24-25,28H,7,10-11,13H2,1-4H3/t14-,16-,17-,19+,22+,23+/m1/s1
InChIKeyAVBLSPPEZPLINV-AACNEDLZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavus (ncbitaxon:5059) - PubMed (31561527)
ChEBI Ontology
Outgoing Relation(s)
Asperiene A (CHEBI:208924) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-5-yl] (6R,7R)-6,7-dihydroxyocta-2,4-dienoate