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CHEBI:219947 - SMTP-16

ChEBI IDCHEBI:219947
ChEBI NameSMTP-16
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H37NO4
Net Charge0
Average Mass511.662
Monoisotopic Mass511.27226
SMILESCC(C)=CCCC(C)=CCC[C@]1(C)Oc2c(c(O)cc3c2CN(c2cccc4ccccc24)C3=O)C[C@@H]1O
InChIInChI=1S/C33H37NO4/c1-21(2)10-7-11-22(3)12-9-17-33(4)30(36)19-26-29(35)18-25-27(31(26)38-33)20-34(32(25)37)28-16-8-14-23-13-5-6-15-24(23)28/h5-6,8,10,12-16,18,30,35-36H,7,9,11,17,19-20H2,1-4H3/t30-,33-/m0/s1
InChIKeyCDMNNDQYIKWTKR-DITALETJSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys microspora (ncbitaxon:80391) - PubMed (20842143)
ChEBI Ontology
Outgoing Relation(s)
SMTP-16 (CHEBI:219947) is a isoindoles (CHEBI:24897)
IUPAC Name 
(2S,3S)-2-(4,8-dimethylnona-3,7-dienyl)-3,5-dihydroxy-2-methyl-8-naphthalen-1-yl-4,9-dihydro-3H-pyrano[2,3-e]isoindol-7-one
Manual XrefsDatabases
78437642ChemSpider