| Properties | Image |
|---|
| MNX_ID | MNXM16430 |
 |
| reference | chebi:81888 |
| formula | C25H28O9 |
| global charge | 0 |
| mol weight | 472.49 |
| InChIKey | BITLBWAPSKBLOM-UWPRAYNDSA-N |
| InChI | InChI=1S/C25H28O9/c1-10-21(29)14(26)6-17(34-10)12-4-3-11-5-13-19(23(31)18(11)22(12)30)15(27)8-25(33)9-24(2,32)7-16(28)20(13)25/h3-5,10,14,17,20-21,26,29-33H,6-9H2,1-2H3/t10-,14-,17-,20?,21-,24+,25+/m1/s1 |
| SMILES | C[C@H]1O[C@@H](C2=CC=C3C=C4C(=C(O)C3=C2O)C(=O)C[C@]2(O)C[C@@](C)(O)CC(=O)C42)C[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C25H28O9/c1-10-21(29)14(26)6-17(34-10)12-4-3-11-5-13-19(23(31)18(11)22(12)30)15(27)8-25(33)9-24(2,32)7-16(28)20(13)25/h3-5,10,14,17,20-21,26,29-33H,6-9H2,1-2H3/t10-,14-,17-,20?,21-,24+,25+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:10]1[C@@H:21]([OH:29])[C@H:14]([OH:26])[CH2:6][C@H:17]([C:12]2=[C:22]([OH:30])[C:18]3=[C:23]([OH:31])[C:19]4=[C:13]([CH:5]=[C:11]3[CH:3]=[CH:4]2)[CH:20]2[C:16](=[O:28])[CH2:7][C@:24]([CH3:2])([OH:32])[CH2:9][C@@:25]2([OH:33])[CH2:8][C:15]4=[O:27])[O:34]1 |
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