| Properties | Image |
|---|
| MNX_ID | MNXM1197964 |
 |
| reference | envipathM:...6d006790ee51 |
| formula | C32H31N3O12 |
| global charge | -2 |
| mol weight | 649.609 |
| InChIKey | SFGZAGHYRJEDQZ-UHFFFAOYSA-L |
| InChI | InChI=1S/C32H33N3O12/c1-19(36)32(45,27(38)28(39)40)17-22-6-12-25(13-7-22)35-31(44)47-18-26(37)14-15-46-30(43)34-24-10-4-21(5-11-24)16-20-2-8-23(9-3-20)33-29(41)42/h2-13,26,33,36-37,45H,1,14-18H2,(H,34,43)(H,35,44)(H,39,40)(H,41,42)/p-2 |
| SMILES | C=C(O)C(O)(CC1=CC=C(NC(=O)OCC(O)CCOC(=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/C32H33N3O12/c1-19(36)32(45,27(38)28(39)40)17-22-6-12-25(13-7-22)35-31(44)47-18-26(37)14-15-46-30(43)34-24-10-4-21(5-11-24)16-20-2-8-23(9-3-20)33-29(41)42/h2-13,26,33,36-37,45H,1,14-18H2,(H,34,43)(H,35,44)(H,39,40)(H,41,42)/t26?,32? |
 |
| SMILES (mnx) | [CH2:1]=[C:19]([C:32]([CH2:17][C:22]1=[CH:7][CH:13]=[C:25]([NH:35][C:31](=[O:44])[O:47][CH2:18][CH:26]([CH2:14][CH2:15][O:46][C:30]([NH:34][C:24]2=[CH:11][CH:5]=[C:21]([CH2:16][C:20]3=[CH:3][CH:9]=[C:23]([NH:33][C:29](=[O:41])[OH:42])[CH:8]=[CH:2]3)[CH:4]=[CH:10]2)=[O:43])[OH:37])[CH:12]=[CH:6]1)([C:27]([C:28]([OH:39])=[O:40])=[O:38])[OH:45])[OH:36] |
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