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CHEBI:219609 - 713A

ChEBI IDCHEBI:219609
ChEBI Name713A
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FormulaC23H28N2O8
Net Charge0
Average Mass460.483
Monoisotopic Mass460.18457
SMILESCC[C@H](C)[C@@H](NC(=O)CN1C=C2C(=O)c3c(O)cc(OC)cc3C=C2CC1(O)CO)C(=O)O
InChIInChI=1S/C23H28N2O8/c1-4-12(2)20(22(30)31)24-18(28)10-25-9-16-14(8-23(25,32)11-26)5-13-6-15(33-3)7-17(27)19(13)21(16)29/h5-7,9,12,20,26-27,32H,4,8,10-11H2,1-3H3,(H,24,28)(H,30,31)/t12-,20+,23?/m0/s1
InChIKeyHHEMMFHYMBIZMU-MVGPFKIXSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
713A (CHEBI:219609) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2R,3S)-2-[[2-[3,9-dihydroxy-3-(hydroxymethyl)-7-methoxy-10-oxo-4H-benzo[g]isoquinolin-2-yl]acetyl]amino]-3-methylpentanoic acid
Manual XrefsDatabases
28285447ChemSpider