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CHEBI:218779 - Andiconin B

ChEBI IDCHEBI:218779
ChEBI NameAndiconin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O5
Net Charge0
Average Mass412.526
Monoisotopic Mass412.22497
SMILESCC1(C)C(=O)C=C[C@@]2(C)[C@H]1CC[C@]13C[C@]4(C)C(=O)[C@](C)(C[C@@H]21)[C@]31COC(=O)[C@H]1[C@H]4O
InChIInChI=1S/C25H32O5/c1-20(2)13-6-9-24-11-22(4)17(27)16-18(28)30-12-25(16,24)23(5,19(22)29)10-14(24)21(13,3)8-7-15(20)26/h7-8,13-14,16-17,27H,6,9-12H2,1-5H3/t13-,14-,16+,17+,21-,22-,23-,24-,25+/m0/s1
InChIKeyBKZBNWCULYLNPH-ABGUQTIISA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (28219242)
ChEBI Ontology
Outgoing Relation(s)
Andiconin B (CHEBI:218779) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,4R,9R,10S,12R,14S,15R,16R,20R)-15-hydroxy-5,5,9,12,14-pentamethyl-18-oxahexacyclo[12.6.1.01,10.04,9.012,20.016,20]henicos-7-ene-6,13,17-trione
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62702346ChemSpider