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CHEBI:202754 - SMTP-11L

ChEBI IDCHEBI:202754
ChEBI NameSMTP-11L
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO6
Net Charge0
Average Mass485.621
Monoisotopic Mass485.27774
SMILESCC(C)=CCCC(C)=CCC[C@]1(C)Oc2c(c(O)cc3c2CN([C@H](C(=O)O)C(C)C)C3=O)C[C@@H]1O
InChIInChI=1S/C28H39NO6/c1-16(2)9-7-10-18(5)11-8-12-28(6)23(31)14-20-22(30)13-19-21(25(20)35-28)15-29(26(19)32)24(17(3)4)27(33)34/h9,11,13,17,23-24,30-31H,7-8,10,12,14-15H2,1-6H3,(H,33,34)/t23-,24-,28-/m0/s1
InChIKeyYPWGHJKEGSXKOV-QONNDPFASA-N
Species of MetaboliteComponentSourceComments
Stachybotrys microspora (ncbitaxon:80391) - PubMed (20842143)
ChEBI Ontology
Outgoing Relation(s)
SMTP-11L (CHEBI:202754) is a valine derivative (CHEBI:27267)
IUPAC Name 
(2S)-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-methylbutanoic acid
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78436910ChemSpider