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CHEBI:199066 - SMTP-10L

ChEBI IDCHEBI:199066
ChEBI NameSMTP-10L
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H41NO6
Net Charge0
Average Mass499.648
Monoisotopic Mass499.29339
SMILESCC[C@H](C)[C@@H](C(=O)O)N1Cc2c(cc(O)c3c2O[C@@](C)(CCC=C(C)CCC=C(C)C)[C@@H](O)C3)C1=O
InChIInChI=1S/C29H41NO6/c1-7-19(5)25(28(34)35)30-16-22-20(27(30)33)14-23(31)21-15-24(32)29(6,36-26(21)22)13-9-12-18(4)11-8-10-17(2)3/h10,12,14,19,24-25,31-32H,7-9,11,13,15-16H2,1-6H3,(H,34,35)/t19-,24-,25-,29-/m0/s1
InChIKeyZMMDWWSCDTXNTN-RSCVVWNVSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys microspora (ncbitaxon:80391) - PubMed (20842143)
ChEBI Ontology
Outgoing Relation(s)
SMTP-10L (CHEBI:199066) is a isoleucine derivative (CHEBI:24899)
IUPAC Name 
(2S,3S)-2-[(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]-3-methylpentanoic acid
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