| Properties | Image |
MNX_ID | MNXM168530 |
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reference | sabiorkM:25023 |
formula | C17H17NO5 |
global charge | 0 |
mol weight | 315.325 |
InChIKey | MCRMUCXATQAAMN-HNNXBMFYSA-N |
InChI | InChI=1S/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/t15-/m0/s1 |
SMILES | O=C(O)[C@H](CC1=CC=C(O)C=C1)N=C(O)OCC1=CC=CC=C1 |
MNX internals
InChI (mnx) | InChI=1/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/t15-/m0/s1 |
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SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:13]([CH2:11][O:23][C:17](=[N:18][C@@H:15]([CH2:10][C:12]2=[CH:7][CH:9]=[C:14]([OH:19])[CH:8]=[CH:6]2)[C:16](=[O:20])[OH:21])[OH:22])[CH:5]=[CH:3]1 |
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