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CHEBI:210777 - Jiangrine B

ChEBI IDCHEBI:210777
ChEBI NameJiangrine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20N2O4
Net Charge0
Average Mass328.368
Monoisotopic Mass328.14231
SMILESO=Cc1ccc([C@H](O)[C@H](O)CO)n1CCc1cnc2ccccc12
InChIInChI=1S/C18H20N2O4/c21-10-13-5-6-16(18(24)17(23)11-22)20(13)8-7-12-9-19-15-4-2-1-3-14(12)15/h1-6,9-10,17-19,22-24H,7-8,11H2/t17-,18+/m1/s1
InChIKeyZRBCSTRGKLTTKW-MSOLQXFVSA-N
Species of MetaboliteComponentSourceComments
Jiangella gansuensis (ncbitaxon:281473) - PubMed (25412141)
ChEBI Ontology
Outgoing Relation(s)
Jiangrine B (CHEBI:210777) is a indoles (CHEBI:24828)
IUPAC Name 
1-[2-(1H-indol-3-yl)ethyl]-5-[(1S,2R)-1,2,3-trihydroxypropyl]pyrrole-2-carbaldehyde
Manual XrefsDatabases
58128087ChemSpider