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CHEBI:211451 - Mescengricin

ChEBI IDCHEBI:211451
ChEBI NameMescengricin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20N2O8
Net Charge0
Average Mass428.397
Monoisotopic Mass428.12197
SMILESCC1CC(O)=C(c2cc(C(=O)OC[C@@H](O)CO)c3c(n2)nc2cc(O)ccc23)C(=O)O1
InChIInChI=1S/C21H20N2O8/c1-9-4-16(27)18(21(29)31-9)15-6-13(20(28)30-8-11(26)7-24)17-12-3-2-10(25)5-14(12)22-19(17)23-15/h2-3,5-6,9,11,24-27H,4,7-8H2,1H3,(H,22,23)/t9?,11-/m0/s1
InChIKeyLIPSJRQTOKPVMQ-UMJHXOGRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/s0040-4039(97)00638-2)
ChEBI Ontology
Outgoing Relation(s)
Mescengricin (CHEBI:211451) is a pyridoindole (CHEBI:48888)
IUPAC Name 
[(2S)-2,3-dihydroxypropyl] 7-hydroxy-2-(4-hydroxy-2-methyl-6-oxo-2,3-dihydropyran-5-yl)-9H-pyrido[2,3-b]indole-4-carboxylate
Manual XrefsDatabases
74093391ChemSpider