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CHEBI:218985 - SMTP-2

ChEBI IDCHEBI:218985
ChEBI NameSMTP-2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H37NO7
Net Charge0
Average Mass463.571
Monoisotopic Mass463.25700
SMILESC/C(=C\CCC1(C)Oc2c(c(O)cc3c2CN(CCO)C3=O)CC1O)CCC(O)C(C)(C)O
InChIInChI=1S/C25H37NO7/c1-15(7-8-20(29)24(2,3)32)6-5-9-25(4)21(30)13-17-19(28)12-16-18(22(17)33-25)14-26(10-11-27)23(16)31/h6,12,20-21,27-30,32H,5,7-11,13-14H2,1-4H3/b15-6+
InChIKeyARJSGSALIJXTLS-GIDUJCDVSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys microspora (ncbitaxon:80391) - PubMed (9099229)
ChEBI Ontology
Outgoing Relation(s)
SMTP-2 (CHEBI:218985) is a isoindoles (CHEBI:24897)
IUPAC Name 
2-[(E)-7,8-dihydroxy-4,8-dimethylnon-3-enyl]-3,5-dihydroxy-8-(2-hydroxyethyl)-2-methyl-4,9-dihydro-3H-pyrano[2,3-e]isoindol-7-one
Manual XrefsDatabases
9013110ChemSpider