| Properties | Image |
|---|
| MNX_ID | MNXM1187668 |
 |
| reference | envipathM:...b3199a3060d6 |
| formula | C32H30N3O11 |
| global charge | -1 |
| mol weight | 632.602 |
| InChIKey | QWADYQYRFTYDEI-UHFFFAOYSA-M |
| InChI | InChI=1S/C32H31N3O11/c36-18-33-22-7-1-19(2-8-22)15-20-3-9-23(10-4-20)35-32(43)46-16-25(37)13-14-44-31(42)34-24-11-5-21(6-12-24)28(38)27(26-17-45-26)29(39)30(40)41/h1-12,25-28,37-38H,13-17H2,(H,34,42)(H,35,43)(H,40,41)/p-1 |
| SMILES | O=C=NC1=CC=C(CC2=CC=C(NC(=O)OCC(O)CCOC(=O)NC3=CC=C(C(O)C(C(=O)C(=O)[O-])C4CO4)C=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C32H31N3O11/c36-18-33-22-7-1-19(2-8-22)15-20-3-9-23(10-4-20)35-32(43)46-16-25(37)13-14-44-31(42)34-24-11-5-21(6-12-24)28(38)27(26-17-45-26)29(39)30(40)41/h1-12,25-28,37-38H,13-17H2,(H,34,42)(H,35,43)(H,40,41)/t25?,26?,27?,28? |
 |
| SMILES (mnx) | [CH:1]1=[CH:7][C:22]([N:33]=[C:18]=[O:36])=[CH:8][CH:2]=[C:19]1[CH2:15][C:20]1=[CH:4][CH:10]=[C:23]([NH:35][C:32](=[O:43])[O:46][CH2:16][CH:25]([CH2:13][CH2:14][O:44][C:31]([NH:34][C:24]2=[CH:12][CH:6]=[C:21]([CH:28]([CH:27]([CH:26]3[CH2:17][O:45]3)[C:29]([C:30]([OH:40])=[O:41])=[O:39])[OH:38])[CH:5]=[CH:11]2)=[O:42])[OH:37])[CH:9]=[CH:3]1 |
|