| Properties | Image |
|---|
| MNX_ID | MNXM1184649 |
 |
| reference | envipathM:...4b75efea97bf |
| formula | C32H30N3O12 |
| global charge | -1 |
| mol weight | 648.601 |
| InChIKey | HRQZXERQDIFFPI-UHFFFAOYSA-M |
| InChI | InChI=1S/C32H31N3O12/c1-18(25(37)29(41)30(42)43)16-19-4-8-22(9-5-19)34-31(44)46-14-2-3-15-47-32(45)35-24-13-12-23(27(39)28(24)40)26(38)20-6-10-21(11-7-20)33-17-36/h4-13,25-26,37-40H,1-3,14-16H2,(H,34,44)(H,35,45)(H,42,43)/p-1 |
| SMILES | C=C(CC1=CC=C(NC(=O)OCCCCOC(=O)NC2=CC=C(C(O)C3=CC=C(N=C=O)C=C3)C(O)=C2O)C=C1)C(O)C(=O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C32H31N3O12/c1-18(25(37)29(41)30(42)43)16-19-4-8-22(9-5-19)34-31(44)46-14-2-3-15-47-32(45)35-24-13-12-23(27(39)28(24)40)26(38)20-6-10-21(11-7-20)33-17-36/h4-13,25-26,37-40H,1-3,14-16H2,(H,34,44)(H,35,45)(H,42,43)/t25?,26? |
 |
| SMILES (mnx) | [CH2:1]=[C:18]([CH2:16][C:19]1=[CH:5][CH:9]=[C:22]([NH:34][C:31](=[O:44])[O:46][CH2:14][CH2:2][CH2:3][CH2:15][O:47][C:32](=[N:35][C:24]2=[C:28]([OH:40])[C:27]([OH:39])=[C:23]([CH:26]([C:20]3=[CH:7][CH:11]=[C:21]([N:33]=[C:17]=[O:36])[CH:10]=[CH:6]3)[OH:38])[CH:12]=[CH:13]2)[OH:45])[CH:8]=[CH:4]1)[CH:25]([C:29]([C:30]([OH:42])=[O:43])=[O:41])[OH:37] |
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