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CHEBI:206887 - Hyalachelin A

ChEBI IDCHEBI:206887
ChEBI NameHyalachelin A
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SubmitterMetaboLights
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FormulaC29H31N3O10
Net Charge0
Average Mass581.578
Monoisotopic Mass581.20094
SMILESNC[C@H](CCCCNC(=O)c1cccc(O)c1O)N1C(=O)c2c(ccc(O)c2O)[C@@H](c2ccc(O)cc2)[C@]1(O)C(=O)O
InChIInChI=1S/C29H31N3O10/c30-14-16(4-1-2-13-31-26(38)19-5-3-6-20(34)24(19)36)32-27(39)22-18(11-12-21(35)25(22)37)23(29(32,42)28(40)41)15-7-9-17(33)10-8-15/h3,5-12,16,23,33-37,42H,1-2,4,13-14,30H2,(H,31,38)(H,40,41)/t16-,23+,29-/m0/s1
InChIKeyUNBMTWACBONEOH-JVXONFNOSA-N
Species of MetaboliteComponentSourceComments
Hyalangium minutum (ncbitaxon:394096) - PubMed (25058569)
ChEBI Ontology
Outgoing Relation(s)
Hyalachelin A (CHEBI:206887) 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-4-(4-hydroxyphenyl)-1-oxo-4H-isoquinoline-3-carboxylic acid
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