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CHEBI:213353 - SMTP-4

ChEBI IDCHEBI:213353
ChEBI NameSMTP-4
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H39NO6
Net Charge0
Average Mass533.665
Monoisotopic Mass533.27774
SMILESCC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN(C(Cc2ccccc2)C(=O)O)C3=O)CC1O
InChIInChI=1S/C32H39NO6/c1-20(2)10-8-11-21(3)12-9-15-32(4)28(35)18-24-27(34)17-23-25(29(24)39-32)19-33(30(23)36)26(31(37)38)16-22-13-6-5-7-14-22/h5-7,10,12-14,17,26,28,34-35H,8-9,11,15-16,18-19H2,1-4H3,(H,37,38)/b21-12+
InChIKeyHSOVHMPKFQKPSJ-CIAFOILYSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (10048563)
ChEBI Ontology
Outgoing Relation(s)
SMTP-4 (CHEBI:213353) is a phenylalanine derivative (CHEBI:25985)
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-phenylpropanoic acid
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9975104ChemSpider