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CHEBI:218422 - SMTP-40

ChEBI IDCHEBI:218422
ChEBI NameSMTP-40
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H37NO6
Net Charge0
Average Mass471.594
Monoisotopic Mass471.26209
SMILESCC(C)=CCCC(C)=CCC[C@]1(C)Oc2c(c(O)cc3c2CN(CCCC(=O)O)C3=O)C[C@@H]1O
InChIInChI=1S/C27H37NO6/c1-17(2)8-5-9-18(3)10-6-12-27(4)23(30)15-20-22(29)14-19-21(25(20)34-27)16-28(26(19)33)13-7-11-24(31)32/h8,10,14,23,29-30H,5-7,9,11-13,15-16H2,1-4H3,(H,31,32)/t23-,27-/m0/s1
InChIKeyFVODKJODGUIXTO-HOFKKMOUSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys microspora (ncbitaxon:80391) - PubMed (20842143)
ChEBI Ontology
Outgoing Relation(s)
SMTP-40 (CHEBI:218422) is a isoindoles (CHEBI:24897)
IUPAC Name 
4-[(2S,3S)-2-(4,8-dimethylnona-3,7-dienyl)-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]butanoic acid
Manual XrefsDatabases
78437602ChemSpider