| Properties | Image |
|---|
| MNX_ID | MNXM1138371 |
 |
| reference | envipathM:...308eb180a506 |
| formula | C32H33N3O11 |
| global charge | -2 |
| mol weight | 635.626 |
| InChIKey | PDFDXHOTXBKOIZ-UHFFFAOYSA-L |
| InChI | InChI=1S/C32H35N3O11/c1-19(36)27(28(38)29(39)40)17-22-6-12-24(13-7-22)34-31(43)45-15-14-26(37)18-46-32(44)35-25-10-4-21(5-11-25)16-20-2-8-23(9-3-20)33-30(41)42/h2-13,19,26-27,33,36-37H,14-18H2,1H3,(H,34,43)(H,35,44)(H,39,40)(H,41,42)/p-2 |
| SMILES | CC(O)C(CC1=CC=C(NC(=O)OCCC(O)COC(=O)NC2=CC=C(CC3=CC=C(NC(=O)[O-])C=C3)C=C2)C=C1)C(=O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C32H35N3O11/c1-19(36)27(28(38)29(39)40)17-22-6-12-24(13-7-22)34-31(43)45-15-14-26(37)18-46-32(44)35-25-10-4-21(5-11-25)16-20-2-8-23(9-3-20)33-30(41)42/h2-13,19,26-27,33,36-37H,14-18H2,1H3,(H,34,43)(H,35,44)(H,39,40)(H,41,42)/t19?,26?,27? |
 |
| SMILES (mnx) | [CH3:1][CH:19]([CH:27]([CH2:17][C:22]1=[CH:7][CH:13]=[C:24]([NH:34][C:31](=[O:43])[O:45][CH2:15][CH2:14][CH:26]([CH2:18][O:46][C:32]([NH:35][C:25]2=[CH:11][CH:5]=[C:21]([CH2:16][C:20]3=[CH:3][CH:9]=[C:23]([NH:33][C:30](=[O:41])[OH:42])[CH:8]=[CH:2]3)[CH:4]=[CH:10]2)=[O:44])[OH:37])[CH:12]=[CH:6]1)[C:28]([C:29]([OH:39])=[O:40])=[O:38])[OH:36] |
|