| Properties | Image |
|---|
| MNX_ID | MNXM1192040 |
 |
| reference | envipathM:...c52b8b305a99 |
| formula | C19H20NO9 |
| global charge | -1 |
| mol weight | 406.367 |
| InChIKey | WJIRBJJNUANOGF-UHFFFAOYSA-M |
| InChI | InChI=1S/C19H21NO9/c21-14-10-12(15(22)17(24)16(14)23)9-11-3-5-13(6-4-11)20-18(25)28-7-1-2-8-29-19(26)27/h3-6,10,21-24H,1-2,7-9H2,(H,20,25)(H,26,27)/p-1 |
| SMILES | O=C([O-])OCCCCOC(=O)NC1=CC=C(CC2=C(O)C(O)=C(O)C(O)=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C19H21NO9/c21-14-10-12(15(22)17(24)16(14)23)9-11-3-5-13(6-4-11)20-18(25)28-7-1-2-8-29-19(26)27/h3-6,10,21-24H,1-2,7-9H2,(H,20,25)(H,26,27) |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:8][O:29][C:19](=[O:26])[OH:27])[CH2:7][O:28][C:18]([NH:20][C:13]1=[CH:6][CH:4]=[C:11]([CH2:9][C:12]2=[CH:10][C:14]([OH:21])=[C:16]([OH:23])[C:17]([OH:24])=[C:15]2[OH:22])[CH:3]=[CH:5]1)=[O:25] |
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