| Properties | Image |
|---|
| MNX_ID | MNXM6470 |
 |
| reference | chebi:32284 |
| formula | C25H28O11 |
| global charge | 0 |
| mol weight | 504.488 |
| InChIKey | AAMCJNYIOAHDFN-BCCCWXECSA-N |
| InChI | InChI=1S/C25H28O11/c1-9-19(29)12(26)5-14(36-9)10-3-4-11-16(20(10)30)22(32)17-13(27)6-24(34)8-23(2,33)7-15(28)25(24,35)18(17)21(11)31/h3-4,9,12-14,19,26-27,29-30,33-35H,5-8H2,1-2H3/t9-,12-,13-,14-,19-,23+,24+,25+/m1/s1 |
| SMILES | C[C@H]1O[C@@H](C2=CC=C3C(=O)C4=C(C(=O)C3=C2O)[C@H](O)C[C@]2(O)C[C@@](C)(O)CC(=O)[C@]42O)C[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C25H28O11/c1-9-19(29)12(26)5-14(36-9)10-3-4-11-16(20(10)30)22(32)17-13(27)6-24(34)8-23(2,33)7-15(28)25(24,35)18(17)21(11)31/h3-4,9,12-14,19,26-27,29-30,33-35H,5-8H2,1-2H3/t9-,12-,13-,14-,19-,23+,24+,25+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:9]1[C@@H:19]([OH:29])[C@H:12]([OH:26])[CH2:5][C@H:14]([C:10]2=[C:20]([OH:30])[C:16]3=[C:11]([CH:4]=[CH:3]2)[C:21](=[O:31])[C:18]2=[C:17]([C@H:13]([OH:27])[CH2:6][C@:24]4([OH:34])[CH2:8][C@@:23]([CH3:2])([OH:33])[CH2:7][C:15](=[O:28])[C@:25]24[OH:35])[C:22]3=[O:32])[O:36]1 |
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