| Properties | Image |
|---|
| MNX_ID | MNXM107096 |
 |
| reference | chebi:66372 |
| formula | C22H22NO8 |
| global charge | 1 |
| mol weight | 428.417 |
| InChIKey | JXENFKAXWZZEPK-UHFFFAOYSA-O |
| InChI | InChI=1S/C22H21NO8/c1-23(2,3)7-6-12-8-16-17(30-10-29-16)9-14(12)20(25)19(24)13-4-5-15-21(31-11-28-15)18(13)22(26)27/h4-5,8-9H,6-7,10-11H2,1-3H3/p+1 |
| SMILES | C[N+](C)(C)CCC1=CC2=C(C=C1C(=O)C(=O)C1=C(C(=O)O)C3=C(C=C1)OCO3)OCO2 |
MNX internals
| InChI (mnx) | InChI=1/C22H21NO8/c1-23(2,3)7-6-12-8-16-17(30-10-29-16)9-14(12)20(25)19(24)13-4-5-15-21(31-11-28-15)18(13)22(26)27/h4-5,8-9H,6-7,10-11H2,1-3H3 |
 |
| SMILES (mnx) | [CH3:1][N+:23]([CH3:2])([CH3:3])[CH2:7][CH2:6][C:12]1=[CH:8][C:16]2=[C:17]([CH:9]=[C:14]1[C:20]([C:19]([C:13]1=[C:18]([C:22](=[O:26])[O-:27])[C:21]3=[C:15]([CH:5]=[CH:4]1)[O:28][CH2:11][O:31]3)=[O:24])=[O:25])[O:30][CH2:10][O:29]2 |
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