| Properties | Image |
|---|
| MNX_ID | MNXM1171082 |
 |
| reference | envipathM:...6ad96aa7d07d |
| formula | C21H21N3O11 |
| global charge | -2 |
| mol weight | 491.409 |
| InChIKey | OBKBXWLBSNECDJ-UHFFFAOYSA-L |
| InChI | InChI=1S/C21H23N3O11/c25-14(7-8-34-21(33)24-19(30)31)10-35-20(32)23-15-6-3-12(16(26)17(15)27)9-11-1-4-13(5-2-11)22-18(28)29/h1-6,14,22,25-27H,7-10H2,(H,23,32)(H,24,33)(H,28,29)(H,30,31)/p-2 |
| SMILES | O=C([O-])NC(=O)OCCC(O)COC(=O)NC1=CC=C(CC2=CC=C(NC(=O)[O-])C=C2)C(O)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C21H23N3O11/c25-14(7-8-34-21(33)24-19(30)31)10-35-20(32)23-15-6-3-12(16(26)17(15)27)9-11-1-4-13(5-2-11)22-18(28)29/h1-6,14,22,25-27H,7-10H2,(H,23,32)(H,24,33)(H,28,29)(H,30,31)/t14? |
 |
| SMILES (mnx) | [CH:1]1=[CH:4][C:13]([NH:22][C:18](=[O:28])[OH:29])=[CH:5][CH:2]=[C:11]1[CH2:9][C:12]1=[C:16]([OH:26])[C:17]([OH:27])=[C:15]([N:23]=[C:20]([OH:32])[O:35][CH2:10][CH:14]([CH2:7][CH2:8][O:34][C:21]([NH:24][C:19]([OH:30])=[O:31])=[O:33])[OH:25])[CH:6]=[CH:3]1 |
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