CHEBI:217549 - Fumigatonin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Fumigatonin
ChEBI ID CHEBI:217549
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H38O11
Net Charge 0
Average Mass 562.612
Monoisotopic Mass 562.24141
InChI InChI=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
InChIKey HCHHDLAWUXCPHI-TYGDEDDDSA-N
SMILES O=C1OC([C@@H]2[C@@H](OC(=O)C)C[C@@H]([C@@]34[C@]2(C=C1)COC5(O3)O[C@@]6(OC([C@H]([C@@H]([C@]5(C4)C)C)[C@@H]6OC(=O)C)=O)C)C)(C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
78438663 ChemSpider
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