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CHEBI:141670 - staphylopine

Default Structure
ChEBI IDCHEBI:141670
ChEBI Namestaphylopine
Stars
Last Modified17 August 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC13H20N4O6
Net Charge0
Average Mass328.325
Monoisotopic Mass328.13828
SMILESCC(N[C@@H](CCN[C@H](Cc1cncn1)C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C13H20N4O6/c1-7(11(18)19)17-9(12(20)21)2-3-15-10(13(22)23)4-8-5-14-6-16-8/h5-7,9-10,15,17H,2-4H2,1H3,(H,14,16)(H,18,19)(H,20,21)(H,22,23)/t7?,9-,10+/m0/s1
InChIKeyWLNNYKMTYVPSDL-VYDKEIKOSA-N
ChEBI Ontology
Outgoing Relation(s)
staphylopine (CHEBI:141670) is a unclassifieds (CHEBI:27189)