| Properties | Image |
|---|
| MNX_ID | MNXM1177209 |
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| reference | envipathM:...16553cfc9bd1 |
| formula | C32H33N3O12 |
| global charge | -2 |
| mol weight | 651.625 |
| InChIKey | QQHKMVJZQUEMRX-UHFFFAOYSA-L |
| InChI | InChI=1S/C32H35N3O12/c36-24(18-26(37)29(40)41)13-7-21-8-14-25(28(39)27(21)38)35-32(45)47-16-2-1-15-46-31(44)34-23-11-5-20(6-12-23)17-19-3-9-22(10-4-19)33-30(42)43/h3-6,8-12,14,24,33,36,38-39H,1-2,7,13,15-18H2,(H,34,44)(H,35,45)(H,40,41)(H,42,43)/p-2 |
| SMILES | O=C([O-])NC1=CC=C(CC2=CC=C(NC(=O)OCCCCOC(=O)NC3=CC=C(CCC(O)CC(=O)C(=O)[O-])C(O)=C3O)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C32H35N3O12/c36-24(18-26(37)29(40)41)13-7-21-8-14-25(28(39)27(21)38)35-32(45)47-16-2-1-15-46-31(44)34-23-11-5-20(6-12-23)17-19-3-9-22(10-4-19)33-30(42)43/h3-6,8-12,14,24,33,36,38-39H,1-2,7,13,15-18H2,(H,34,44)(H,35,45)(H,40,41)(H,42,43)/t24? |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:16][O:47][C:32](=[N:35][C:25]1=[C:28]([OH:39])[C:27]([OH:38])=[C:21]([CH2:7][CH2:13][CH:24]([CH2:18][C:26]([C:29]([OH:40])=[O:41])=[O:37])[OH:36])[CH:8]=[CH:14]1)[OH:45])[CH2:15][O:46][C:31]([NH:34][C:23]1=[CH:12][CH:6]=[C:20]([CH2:17][C:19]2=[CH:4][CH:10]=[C:22]([NH:33][C:30](=[O:42])[OH:43])[CH:9]=[CH:3]2)[CH:5]=[CH:11]1)=[O:44] |
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