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CHEBI:225336 - JBIR-67

ChEBI IDCHEBI:225336
ChEBI NameJBIR-67
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H23NO3
Net Charge0
Average Mass289.375
Monoisotopic Mass289.16779
SMILESCC(C)=CCC[C@](C)(O)[C@H]1Cc2cc(C(=O)O)ccc2N1
InChIInChI=1S/C17H23NO3/c1-11(2)5-4-8-17(3,21)15-10-13-9-12(16(19)20)6-7-14(13)18-15/h5-7,9,15,18,21H,4,8,10H2,1-3H3,(H,19,20)/t15-,17+/m1/s1
InChIKeyZXXIVRBMWGCUKJ-WBVHZDCISA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies RI18 (ncbitaxon:1894972) - PubMed (21224859)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
JBIR-67 (CHEBI:225336) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
(2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxylic acid
Manual XrefsDatabases
78441938ChemSpider