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paspalate

PropertiesImageOccurences in reactions
MNX_IDMNXM8991Image of MNXM8991
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
formulaC16H16N2O2
charge0
mass268.12118
referencemetacycM:CPD-12359
InChIKeyRJNCJTROKRDRBW-TZMCWYRMSA-N
InChIInChI=1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,12,14,17H,6,8H2,1H3,(H,19,20)/t12-,14-/m1/s1
SMILESC[NH+]1CC(C(=O)[O-])=C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-12359
metacycM:CPD-12359 		paspalate
ergoline-8-carboxylic acid
paspalic acid
seed.compound:cpd23372
seedM:cpd23372 		ergoline-8-carboxylic acid
paspalate
paspalic acid
seedM:M_cpd23372 secondary/obsolete/fantasy identifier