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CHEBI:203085 - Oxopropaline E

ChEBI IDCHEBI:203085
ChEBI NameOxopropaline E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24N2O6
Net Charge0
Average Mass400.431
Monoisotopic Mass400.16344
SMILESCc1cnc(C(=O)CCO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c2nc3ccccc3c12
InChIInChI=1S/C21H24N2O6/c1-10-9-22-16(17-15(10)12-5-3-4-6-13(12)23-17)14(24)7-8-28-21-20(27)19(26)18(25)11(2)29-21/h3-6,9,11,18-21,23,25-27H,7-8H2,1-2H3/t11-,18-,19+,20+,21+/m0/s1
InChIKeyFSOBSGJDWJWABF-YOHLVPJJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8270489)
ChEBI Ontology
Outgoing Relation(s)
Oxopropaline E (CHEBI:203085) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
1-(4-methyl-9H-pyrido[3,4-b]indol-1-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropan-1-one
Manual XrefsDatabases
139695ChemSpider