| Properties | Image |
MNX_ID | MNXM168513 |
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reference | chebi:90091 |
formula | C16H15NO4 |
global charge | 0 |
mol weight | 285.299 |
InChIKey | KUUUDPTUEOKITK-AWEZNQCLSA-N |
InChI | InChI=1S/C16H15NO4/c18-13-8-6-11(7-9-13)10-14(16(20)21)17-15(19)12-4-2-1-3-5-12/h1-9,14,18H,10H2,(H,17,19)(H,20,21)/t14-/m0/s1 |
SMILES | O=C(N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)C1=CC=CC=C1 |
MNX internals
InChI (mnx) | InChI=1/C16H15NO4/c18-13-8-6-11(7-9-13)10-14(16(20)21)17-15(19)12-4-2-1-3-5-12/h1-9,14,18H,10H2,(H,17,19)(H,20,21)/t14-/m0/s1 |
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SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:12]([C:15](=[N:17][C@@H:14]([CH2:10][C:11]2=[CH:7][CH:9]=[C:13]([OH:18])[CH:8]=[CH:6]2)[C:16](=[O:20])[OH:21])[OH:19])[CH:5]=[CH:3]1 |
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