| Properties | Image |
|---|
| MNX_ID | MNXM1178522 |
 |
| reference | envipathM:...73a6434b34b4 |
| formula | C32H30N3O11 |
| global charge | -1 |
| mol weight | 632.602 |
| InChIKey | UUKIWRWOTQWATL-UHFFFAOYSA-M |
| InChI | InChI=1S/C32H31N3O11/c1-19(16-26(37)30(41)42)27(38)21-6-11-24(12-7-21)34-31(43)45-14-2-3-15-46-32(44)35-25-13-8-22(28(39)29(25)40)17-20-4-9-23(10-5-20)33-18-36/h4-13,27,38-40H,1-3,14-17H2,(H,34,43)(H,35,44)(H,41,42)/p-1 |
| SMILES | C=C(CC(=O)C(=O)[O-])C(O)C1=CC=C(NC(=O)OCCCCOC(=O)NC2=CC=C(CC3=CC=C(N=C=O)C=C3)C(O)=C2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C32H31N3O11/c1-19(16-26(37)30(41)42)27(38)21-6-11-24(12-7-21)34-31(43)45-14-2-3-15-46-32(44)35-25-13-8-22(28(39)29(25)40)17-20-4-9-23(10-5-20)33-18-36/h4-13,27,38-40H,1-3,14-17H2,(H,34,43)(H,35,44)(H,41,42)/t27? |
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| SMILES (mnx) | [CH2:1]=[C:19]([CH2:16][C:26]([C:30]([OH:41])=[O:42])=[O:37])[CH:27]([C:21]1=[CH:7][CH:12]=[C:24]([NH:34][C:31](=[O:43])[O:45][CH2:14][CH2:2][CH2:3][CH2:15][O:46][C:32](=[N:35][C:25]2=[C:29]([OH:40])[C:28]([OH:39])=[C:22]([CH2:17][C:20]3=[CH:5][CH:10]=[C:23]([N:33]=[C:18]=[O:36])[CH:9]=[CH:4]3)[CH:8]=[CH:13]2)[OH:44])[CH:11]=[CH:6]1)[OH:38] |
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