| Properties | Image |
|---|
| MNX_ID | MNXM11909 |
 |
| reference | chebi:5980 |
| formula | C25H31NO10 |
| global charge | 0 |
| mol weight | 505.52 |
| InChIKey | BCYNGTTVQNJTCV-ONGZBVEHSA-N |
| InChI | InChI=1S/C25H31NO10/c1-3-12-14-7-16-13-8-17(28)18(33-2)6-11(13)4-5-26(16)23(32)15(14)10-34-24(12)36-25-22(31)21(30)20(29)19(9-27)35-25/h3,6,8,10,12,14,16,19-22,24-25,27-31H,1,4-5,7,9H2,2H3/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1 |
| SMILES | C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCC4=C(C=C(O)C(OC)=C4)[C@@H]3C[C@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C25H31NO10/c1-3-12-14-7-16-13-8-17(28)18(33-2)6-11(13)4-5-26(16)23(32)15(14)10-34-24(12)36-25-22(31)21(30)20(29)19(9-27)35-25/h3,6,8,10,12,14,16,19-22,24-25,27-31H,1,4-5,7,9H2,2H3/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1 |
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| SMILES (mnx) | [CH2:1]=[CH:3][C@@H:12]1[C@@H:14]2[CH2:7][C@H:16]3[C:13]4=[CH:8][C:17]([OH:28])=[C:18]([O:33][CH3:2])[CH:6]=[C:11]4[CH2:4][CH2:5][N:26]3[C:23](=[O:32])[C:15]2=[CH:10][O:34][C@H:24]1[O:36][C@H:25]1[C@H:22]([OH:31])[C@@H:21]([OH:30])[C@H:20]([OH:29])[C@@H:19]([CH2:9][OH:27])[O:35]1 |
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