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CHEBI:220732 - SMTP-5D

ChEBI IDCHEBI:220732
ChEBI NameSMTP-5D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H41NO6
Net Charge0
Average Mass499.648
Monoisotopic Mass499.29339
SMILESCC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN([C@H](CC(C)C)C(=O)O)C3=O)CC1O
InChIInChI=1S/C29H41NO6/c1-17(2)9-7-10-19(5)11-8-12-29(6)25(32)15-21-24(31)14-20-22(26(21)36-29)16-30(27(20)33)23(28(34)35)13-18(3)4/h9,11,14,18,23,25,31-32H,7-8,10,12-13,15-16H2,1-6H3,(H,34,35)/b19-11+/t23-,25?,29?/m1/s1
InChIKeySFWATHVUVKCXSG-ONRXTGMLSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (14700276)
ChEBI Ontology
Outgoing Relation(s)
SMTP-5D (CHEBI:220732) is a leucine derivative (CHEBI:47003)
IUPAC Name 
(2R)-2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-4-methylpentanoic acid
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