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CHEBI:200809 - Subglutinol A

ChEBI IDCHEBI:200809
ChEBI NameSubglutinol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O4
Net Charge0
Average Mass426.597
Monoisotopic Mass426.27701
SMILESC=C1CC[C@H]2[C@]3(C)C[C@@H](C=C(C)C)O[C@H]3CC[C@]2(C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O
InChIInChI=1S/C27H38O4/c1-15(2)12-19-14-27(7)22-9-8-16(3)21(26(22,6)11-10-23(27)31-19)13-20-24(28)17(4)18(5)30-25(20)29/h12,19,21-23,28H,3,8-11,13-14H2,1-2,4-7H3/t19-,21-,22-,23+,26-,27+/m1/s1
InChIKeySXNPXUJAUIINIU-JTLRLOPKSA-N
Species of MetaboliteComponentSourceComments
Fusarium subglutinans (ncbitaxon:42677) - DOI (10.1021/jo00127a001)
ChEBI Ontology
Outgoing Relation(s)
Subglutinol A (CHEBI:200809) is a naphthofuran (CHEBI:39270)
IUPAC Name 
3-[[(2S,3aS,5aR,6R,9aR,9bS)-5a,9b-dimethyl-7-methylidene-2-(2-methylprop-1-enyl)-2,3a,4,5,6,8,9,9a-octahydro-1H-benzo[e][1]benzouran-6-yl]methyl]-4-hydroxy-5,6-dimethylpyran-2-one
Manual XrefsDatabases
10307231ChemSpider