| Properties | Image |
|---|
| MNX_ID | MNXM35905 |
 |
| reference | chebi:41576 |
| formula | C32H34N2O12 |
| global charge | 0 |
| mol weight | 638.626 |
| InChIKey | YIMDLWDNDGKDTJ-QLKYHASDSA-N |
| InChI | InChI=1S/C32H34N2O12/c1-14-27(37)18(34-6-7-44-13-15(34)11-33)8-22(45-14)46-20-10-32(42,21(36)12-35)9-17-24(20)31(41)26-25(29(17)39)28(38)16-4-3-5-19(43-2)23(16)30(26)40/h3-5,14-15,18,20,22,27,35,37,39,41-42H,6-10,12-13H2,1-2H3/t14-,15?,18-,20-,22-,27+,32-/m0/s1 |
| SMILES | COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]3C[C@H](N4CCOCC4C#N)[C@H](O)[C@H](C)O3)C(O)=C1C2=O |
MNX internals
| InChI (mnx) | InChI=1/C32H34N2O12/c1-14-27(37)18(34-6-7-44-13-15(34)11-33)8-22(45-14)46-20-10-32(42,21(36)12-35)9-17-24(20)31(41)26-25(29(17)39)28(38)16-4-3-5-19(43-2)23(16)30(26)40/h3-5,14-15,18,20,22,27,35,37,39,41-42H,6-10,12-13H2,1-2H3/t14-,15?,18-,20-,22-,27+,32-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:14]1[C@@H:27]([OH:37])[C@@H:18]([N:34]2[CH2:6][CH2:7][O:44][CH2:13][CH:15]2[C:11]#[N:33])[CH2:8][C@H:22]([O:46][C@H:20]2[CH2:10][C@@:32]([C:21]([CH2:12][OH:35])=[O:36])([OH:42])[CH2:9][C:17]3=[C:29]([OH:39])[C:25]4=[C:26]([C:30](=[O:40])[C:23]5=[C:16]([CH:4]=[CH:3][CH:5]=[C:19]5[O:43][CH3:2])[C:28]4=[O:38])[C:31]([OH:41])=[C:24]32)[O:45]1 |
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