| Properties | Image |
|---|
| MNX_ID | MNXM1174220 |
 |
| reference | envipathM:...8bd758a00cf3 |
| formula | C32H28N3O11 |
| global charge | -1 |
| mol weight | 630.586 |
| InChIKey | OIERLYQBZGBTNP-UHFFFAOYSA-M |
| InChI | InChI=1S/C32H29N3O11/c1-2-26(29(40)30(41)42)28(39)21-7-13-24(14-8-21)35-32(44)46-17-25(37)15-16-45-31(43)34-23-11-5-20(6-12-23)27(38)19-3-9-22(10-4-19)33-18-36/h2-14,25-27,37-38H,1,15-17H2,(H,34,43)(H,35,44)(H,41,42)/p-1 |
| SMILES | C=CC(C(=O)C(=O)[O-])C(=O)C1=CC=C(NC(=O)OCC(O)CCOC(=O)NC2=CC=C(C(O)C3=CC=C(N=C=O)C=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C32H29N3O11/c1-2-26(29(40)30(41)42)28(39)21-7-13-24(14-8-21)35-32(44)46-17-25(37)15-16-45-31(43)34-23-11-5-20(6-12-23)27(38)19-3-9-22(10-4-19)33-18-36/h2-14,25-27,37-38H,1,15-17H2,(H,34,43)(H,35,44)(H,41,42)/t25?,26?,27? |
 |
| SMILES (mnx) | [CH2:1]=[CH:2][CH:26]([C:28]([C:21]1=[CH:8][CH:14]=[C:24]([NH:35][C:32](=[O:44])[O:46][CH2:17][CH:25]([CH2:15][CH2:16][O:45][C:31]([NH:34][C:23]2=[CH:12][CH:6]=[C:20]([CH:27]([C:19]3=[CH:4][CH:10]=[C:22]([N:33]=[C:18]=[O:36])[CH:9]=[CH:3]3)[OH:38])[CH:5]=[CH:11]2)=[O:43])[OH:37])[CH:13]=[CH:7]1)=[O:39])[C:29]([C:30]([OH:41])=[O:42])=[O:40] |
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