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CHEBI:209454 - SMTP-14

ChEBI IDCHEBI:209454
ChEBI NameSMTP-14
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H39NO7
Net Charge0
Average Mass549.664
Monoisotopic Mass549.27265
SMILESCC(C)=CCCC(C)=CCC[C@]1(C)Oc2c(c(O)cc3c2CN([C@@H](Cc2ccc(O)cc2)C(=O)O)C3=O)C[C@@H]1O
InChIInChI=1S/C32H39NO7/c1-19(2)7-5-8-20(3)9-6-14-32(4)28(36)17-24-27(35)16-23-25(29(24)40-32)18-33(30(23)37)26(31(38)39)15-21-10-12-22(34)13-11-21/h7,9-13,16,26,28,34-36H,5-6,8,14-15,17-18H2,1-4H3,(H,38,39)/t26-,28-,32-/m0/s1
InChIKeyNSIGTFXHCFDUIY-XKVYUHEQSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys microspora (ncbitaxon:80391) - PubMed (20842143)
ChEBI Ontology
Outgoing Relation(s)
SMTP-14 (CHEBI:209454) is a tyrosine derivative (CHEBI:62761)
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-(4-hydroxyphenyl)propanoic acid
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