| Properties | Image |
|---|
| MNX_ID | MNXM1132388 |
 |
| reference | metacycM:CPD-23493 |
| formula | C30H39NO14 |
| global charge | 0 |
| mol weight | 637.635 |
| InChIKey | XEHZEBZOVDHTST-ZKRRCNPKSA-N |
| InChI | InChI=1S/C30H39NO14/c1-41-19-12-16(4-8-18(19)43-30-28(40)26(38)24(36)21(14-33)45-30)5-9-22(34)31-11-10-15-2-6-17(7-3-15)42-29-27(39)25(37)23(35)20(13-32)44-29/h2-9,12,20-21,23-30,32-33,35-40H,10-11,13-14H2,1H3,(H,31,34)/b9-5+/t20-,21-,23-,24-,25+,26+,27-,28-,29-,30-/m1/s1 |
| SMILES | COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(/C=C/C(=O)NCCC2=CC=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H39NO14/c1-41-19-12-16(4-8-18(19)43-30-28(40)26(38)24(36)21(14-33)45-30)5-9-22(34)31-11-10-15-2-6-17(7-3-15)42-29-27(39)25(37)23(35)20(13-32)44-29/h2-9,12,20-21,23-30,32-33,35-40H,10-11,13-14H2,1H3,(H,31,34)/b9-5+/t20-,21-,23-,24-,25+,26+,27-,28-,29-,30-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:41][C:19]1=[C:18]([O:43][C@H:30]2[C@H:28]([OH:40])[C@@H:26]([OH:38])[C@H:24]([OH:36])[C@@H:21]([CH2:14][OH:33])[O:45]2)[CH:8]=[CH:4][C:16](/[CH:5]=[CH:9]/[C:22](=[N:31]/[CH2:11][CH2:10][C:15]2=[CH:3][CH:7]=[C:17]([O:42][C@H:29]3[C@H:27]([OH:39])[C@@H:25]([OH:37])[C@H:23]([OH:35])[C@@H:20]([CH2:13][OH:32])[O:44]3)[CH:6]=[CH:2]2)[OH:34])=[CH:12]1 |
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