| Properties | Image |
MNX_ID | MNXM108423 |
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reference | chebi:70639 |
formula | C17H15NO3 |
global charge | 0 |
mol weight | 281.311 |
InChIKey | CKIYSMRPIBQTHQ-HZPDHXFCSA-N |
InChI | InChI=1S/C17H15NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-4,7,15-16,18-19H,5-6,8H2/t15-,16-/m1/s1 |
SMILES | O[C@@H]1C2=CC=CC=C2C2=C3C(=CC4=C2OCO4)CCN[C@H]31 |
MNX internals
InChI (mnx) | InChI=1/C17H15NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-4,7,15-16,18-19H,5-6,8H2/t15-,16-/m1/s1 |
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SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:11]2[C:10](=[CH:3]1)[C:14]1=[C:13]3[C:9](=[CH:7][C:12]4=[C:17]1[O:21][CH2:8][O:20]4)[CH2:5][CH2:6][NH:18][C@H:15]3[C@@H:16]2[OH:19] |
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