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CHEBI:203688 - SMTP-38

ChEBI IDCHEBI:203688
ChEBI NameSMTP-38
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H41N3O5
Net Charge0
Average Mass571.718
Monoisotopic Mass571.30462
SMILESCC(C)=CCCC(C)=CCC[C@]1(C)Oc2c(c(O)cc3c2CN(c2c(C)n(C)n(-c4ccccc4)c2=O)C3=O)C[C@@H]1O
InChIInChI=1S/C34H41N3O5/c1-21(2)12-10-13-22(3)14-11-17-34(5)29(39)19-26-28(38)18-25-27(31(26)42-34)20-36(32(25)40)30-23(4)35(6)37(33(30)41)24-15-8-7-9-16-24/h7-9,12,14-16,18,29,38-39H,10-11,13,17,19-20H2,1-6H3/t29-,34-/m0/s1
InChIKeyFMCIMICGCZJEKX-DODOAAEWSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys microspora (ncbitaxon:80391) - PubMed (20842143)
ChEBI Ontology
Outgoing Relation(s)
SMTP-38 (CHEBI:203688) is a pyrazoles (CHEBI:26410)
SMTP-38 (CHEBI:203688) is a ring assembly (CHEBI:36820)
IUPAC Name 
(2S,3S)-2-(4,8-dimethylnona-3,7-dienyl)-8-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dihydroxy-2-methyl-4,9-dihydro-3H-pyrano[2,3-e]isoindol-7-one
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78437043ChemSpider