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CHEBI:225536 - Asperginol A

ChEBI IDCHEBI:225536
ChEBI NameAsperginol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O6
Net Charge0
Average Mass460.611
Monoisotopic Mass460.28249
SMILESC=C1[C@H](O)C[C@@H]2[C@](C)(CC[C@H]3OC(C)(C)[C@@H](O)CC[C@]23C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O
InChIInChI=1S/C27H40O6/c1-14-16(3)32-24(31)17(23(14)30)12-18-15(2)19(28)13-20-26(18,6)11-9-22-27(20,7)10-8-21(29)25(4,5)33-22/h18-22,28-30H,2,8-13H2,1,3-7H3/t18-,19-,20-,21+,22-,26-,27-/m1/s1
InChIKeyHXUFFOWWLYPUFU-FXZKLQIISA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (33305943)
ChEBI Ontology
Outgoing Relation(s)
Asperginol A (CHEBI:225536) is a oxacycle (CHEBI:38104)
IUPAC Name 
3-[[(3S,5aR,7aR,8S,10R,11aR,11bR)-3,10-dihydroxy-4,4,7a,11b-tetramethyl-9-methylidene-1,2,3,5a,6,7,8,10,11,11a-decahydronaphtho[2,1-b]oxepin-8-yl]methyl]-4-hydroxy-5,6-dimethylpyran-2-one