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CHEBI:201972 - Hyalachelin B

ChEBI IDCHEBI:201972
ChEBI NameHyalachelin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H31N3O9
Net Charge0
Average Mass565.579
Monoisotopic Mass565.20603
SMILESNC[C@H](CCCCNC(=O)c1cccc(O)c1O)N1C(=O)c2c(ccc(O)c2O)[C@@H](c2ccccc2)[C@]1(O)C(=O)O
InChIInChI=1S/C29H31N3O9/c30-15-17(9-4-5-14-31-26(37)19-10-6-11-20(33)24(19)35)32-27(38)22-18(12-13-21(34)25(22)36)23(29(32,41)28(39)40)16-7-2-1-3-8-16/h1-3,6-8,10-13,17,23,33-36,41H,4-5,9,14-15,30H2,(H,31,37)(H,39,40)/t17-,23+,29-/m0/s1
InChIKeyPGNXOSZDRBGVKT-UDEPYWBTSA-N
Species of MetaboliteComponentSourceComments
Hyalangium minutum (ncbitaxon:394096) - PubMed (25058569)
ChEBI Ontology
Outgoing Relation(s)
Hyalachelin B (CHEBI:201972) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(3S,4R)-2-[(2S)-1-amino-6-[(2,3-dihydroxybenzoyl)amino]hexan-2-yl]-3,7,8-trihydroxy-1-oxo-4-phenyl-4H-isoquinoline-3-carboxylic acid
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