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CHEBI:205830 - SMTP-3

ChEBI IDCHEBI:205830
ChEBI NameSMTP-3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H35NO7
Net Charge0
Average Mass473.566
Monoisotopic Mass473.24135
SMILESCC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN(C(CO)C(=O)O)C3=O)CC1O
InChIInChI=1S/C26H35NO7/c1-15(2)7-5-8-16(3)9-6-10-26(4)22(30)12-18-21(29)11-17-19(23(18)34-26)13-27(24(17)31)20(14-28)25(32)33/h7,9,11,20,22,28-30H,5-6,8,10,12-14H2,1-4H3,(H,32,33)/b16-9+
InChIKeyBWPFIDWJPVFHKS-CXUHLZMHSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (10048563)
ChEBI Ontology
Outgoing Relation(s)
SMTP-3 (CHEBI:205830) is a serine derivative (CHEBI:26649)
IUPAC Name 
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]-3-hydroxypropanoic acid
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8775932ChemSpider