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CHEBI:216499 - Chaetoindicin C

ChEBI IDCHEBI:216499
ChEBI NameChaetoindicin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19NO4
Net Charge0
Average Mass289.331
Monoisotopic Mass289.13141
SMILESCC1=C2O[C@H](C(C)(C)O)C[C@]2(O)c2cc(C)ncc2C1=O
InChIInChI=1S/C16H19NO4/c1-8-5-11-10(7-17-8)13(18)9(2)14-16(11,20)6-12(21-14)15(3,4)19/h5,7,12,19-20H,6H2,1-4H3/t12-,16-/m0/s1
InChIKeyXKFSBTUQCGMWKU-LRDDRELGSA-N
Species of MetaboliteComponentSourceComments
Dichotomopilus indicus (ncbitaxon:1934381) - PubMed (16869673)
ChEBI Ontology
Outgoing Relation(s)
Chaetoindicin C (CHEBI:216499) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(2S,9bS)-9b-hydroxy-2-(2-hydroxypropan-2-yl)-4,8-dimethyl-1,2-dihydrouro[3,2-]isoquinolin-5-one
Manual XrefsDatabases
78441154ChemSpider