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CHEBI:216897 - Hyalachelin C

ChEBI IDCHEBI:216897
ChEBI NameHyalachelin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H32N4O9
Net Charge0
Average Mass604.616
Monoisotopic Mass604.21693
SMILESNC[C@H](CCCCNC(=O)c1cccc(O)c1O)N1C(=O)c2c(ccc(O)c2O)[C@@H](c2cnc3ccccc23)[C@]1(O)C(=O)O
InChIInChI=1S/C31H32N4O9/c32-14-16(6-3-4-13-33-28(40)19-8-5-10-22(36)26(19)38)35-29(41)24-18(11-12-23(37)27(24)39)25(31(35,44)30(42)43)20-15-34-21-9-2-1-7-17(20)21/h1-2,5,7-12,15-16,25,34,36-39,44H,3-4,6,13-14,32H2,(H,33,40)(H,42,43)/t16-,25-,31-/m0/s1
InChIKeyZIZXZYIYZWDULD-AIFNDOITSA-N
Species of MetaboliteComponentSourceComments
Hyalangium minutum (ncbitaxon:394096) - PubMed (25058569)
ChEBI Ontology
Outgoing Relation(s)
Hyalachelin C (CHEBI:216897) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(3S,4S)-2-[(2S)-1-amino-6-[(2,3-dihydroxybenzoyl)amino]hexan-2-yl]-3,7,8-trihydroxy-4-(1H-indol-3-yl)-1-oxo-4H-isoquinoline-3-carboxylic acid
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