| Properties | Image |
|---|
| MNX_ID | MNXM529854 |
 |
| reference | chebi:125258 |
| formula | C29H37NO14 |
| global charge | 0 |
| mol weight | 623.608 |
| InChIKey | NCHNHYZMDUFVHL-MDEMUCNQSA-N |
| InChI | InChI=1S/C29H37NO14/c1-5-39-24(32)18-9-7-8-10-19(25(33)40-6-2)27(35)43-23-22(42-26(18)34)21(20(15-31)41-28(23)38-4)44-29(36)30-16-11-13-17(37-3)14-12-16/h7-8,11-14,18-23,28,31H,5-6,9-10,15H2,1-4H3,(H,30,36)/t18-,19-,20-,21-,22+,23-,28+/m1/s1 |
| SMILES | CCOC(=O)[C@H]1CC=CC[C@H](C(=O)OCC)C(=O)O[C@H]2[C@@H](OC)O[C@H](CO)[C@@H](OC(=O)NC3=CC=C(OC)C=C3)[C@@H]2OC1=O |
MNX internals
| InChI (mnx) | InChI=1/C29H37NO14/c1-5-39-24(32)18-9-7-8-10-19(25(33)40-6-2)27(35)43-23-22(42-26(18)34)21(20(15-31)41-28(23)38-4)44-29(36)30-16-11-13-17(37-3)14-12-16/h7-8,11-14,18-23,28,31H,5-6,9-10,15H2,1-4H3,(H,30,36)/b8-7?/t18-,19-,20-,21-,22+,23-,28+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][O:39][C:24]([C@H:18]1[CH2:9][CH:7]=[CH:8][CH2:10][C@H:19]([C:25](=[O:33])[O:40][CH2:6][CH3:2])[C:27](=[O:35])[O:43][C@@H:23]2[C@H:22]([C@H:21]([O:44][C:29]([NH:30][C:16]3=[CH:12][CH:14]=[C:17]([O:37][CH3:3])[CH:13]=[CH:11]3)=[O:36])[C@@H:20]([CH2:15][OH:31])[O:41][C@@H:28]2[O:38][CH3:4])[O:42][C:26]1=[O:34])=[O:32] |
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