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CHEBI:212043 - 7-Hydroxyl-O-demethylbenzastatin D

ChEBI IDCHEBI:212043
ChEBI Name7-Hydroxyl-O-demethylbenzastatin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H25NO4
Net Charge0
Average Mass319.401
Monoisotopic Mass319.17836
SMILESCC(C)=C(C)CC[C@]1(CO)Nc2ccc(C(=O)O)cc2C[C@H]1O
InChIInChI=1S/C18H25NO4/c1-11(2)12(3)6-7-18(10-20)16(21)9-14-8-13(17(22)23)4-5-15(14)19-18/h4-5,8,16,19-21H,6-7,9-10H2,1-3H3,(H,22,23)/t16-,18-/m1/s1
InChIKeyXJIQAMCSOZMCFH-SJLPKXTDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/jacs.8b02769)
ChEBI Ontology
Outgoing Relation(s)
7-Hydroxyl-O-demethylbenzastatin D (CHEBI:212043) is a quinolines (CHEBI:26513)
IUPAC Name 
(2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(hydroxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid