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CHEBI:217549 - Fumigatonin

ChEBI IDCHEBI:217549
ChEBI NameFumigatonin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O11
Net Charge0
Average Mass562.612
Monoisotopic Mass562.24141
SMILESCC(=O)O[C@H]1C[C@H](C)[C@@]23C[C@]4(C)[C@@H](C)[C@H]5C(=O)O[C@@](C)(OC4(OC[C@@]24C=CC(=O)OC(C)(C)[C@H]14)O3)[C@H]5OC(C)=O
InChIInChI=1S/C29H38O11/c1-14-11-18(35-16(3)30)21-24(5,6)37-19(32)9-10-27(21)13-34-29-25(7,12-28(14,27)40-29)15(2)20-22(36-17(4)31)26(8,39-29)38-23(20)33/h9-10,14-15,18,20-22H,11-13H2,1-8H3/t14-,15-,18-,20+,21-,22-,25+,26-,27+,28-,29?/m0/s1
InChIKeyHCHHDLAWUXCPHI-TYGDEDDDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/s0040-4039(01)91018-4)
ChEBI Ontology
Outgoing Relation(s)
Fumigatonin (CHEBI:217549) is a apo carotenoid sesquiterpenoid (CHEBI:36758)
IUPAC Name 
[(4S,10S,11S,13S,14S,16R,17S,18R,21S,24S)-24-acetyloxy-9,9,13,16,17,21-hexamethyl-7,19-dioxo-2,8,20,22,23-pentaoxahexacyclo[12.8.1.118,21.01,16.04,10.04,14]tetracos-5-en-11-yl] acetate
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78438663ChemSpider