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CHEBI:200215 - Stachybotrin B

ChEBI IDCHEBI:200215
ChEBI NameStachybotrin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31NO4
Net Charge0
Average Mass385.504
Monoisotopic Mass385.22531
SMILESCC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2c(c(O)cc3c2CNC3=O)C[C@@H]1O
InChIInChI=1S/C23H31NO4/c1-14(2)7-5-8-15(3)9-6-10-23(4)20(26)12-17-19(25)11-16-18(21(17)28-23)13-24-22(16)27/h7,9,11,20,25-26H,5-6,8,10,12-13H2,1-4H3,(H,24,27)/b15-9+/t20-,23-/m0/s1
InChIKeyXGUHYRYUXUVLOK-BHNVPJQESA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - DOI (10.1021/jo00051a006)
ChEBI Ontology
Outgoing Relation(s)
Stachybotrin B (CHEBI:200215) is a isoindoles (CHEBI:24897)
IUPAC Name 
(2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-3,4,8,9-tetrahydropyrano[2,3-e]isoindol-7-one
Manual XrefsDatabases
8424993ChemSpider