| Properties | Image |
|---|
| MNX_ID | MNXM104476 |
 |
| reference | chebi:65754 |
| formula | C28H32O13 |
| global charge | 0 |
| mol weight | 576.551 |
| InChIKey | GJQWEXQXMZQZBX-BFPHBORISA-N |
| InChI | InChI=1S/C28H32O13/c1-11-23(32)15(31)8-18(38-11)22-17(37-2)9-19-21(25(22)34)14(30)7-16(40-19)12-3-5-13(6-4-12)39-28-27(36)26(35)24(33)20(10-29)41-28/h3-7,9,11,15,18,20,23-24,26-29,31-36H,8,10H2,1-2H3/t11-,15-,18-,20-,23+,24-,26+,27-,28-/m1/s1 |
| SMILES | COC1=C([C@H]2C[C@@H](O)[C@@H](O)[C@@H](C)O2)C(O)=C2C(=O)C=C(C3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)OC2=C1 |
MNX internals
| InChI (mnx) | InChI=1/C28H32O13/c1-11-23(32)15(31)8-18(38-11)22-17(37-2)9-19-21(25(22)34)14(30)7-16(40-19)12-3-5-13(6-4-12)39-28-27(36)26(35)24(33)20(10-29)41-28/h3-7,9,11,15,18,20,23-24,26-29,31-36H,8,10H2,1-2H3/t11-,15-,18-,20-,23+,24-,26+,27-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:11]1[C@H:23]([OH:32])[C@H:15]([OH:31])[CH2:8][C@H:18]([C:22]2=[C:25]([OH:34])[C:21]3=[C:19]([CH:9]=[C:17]2[O:37][CH3:2])[O:40][C:16]([C:12]2=[CH:4][CH:6]=[C:13]([O:39][C@H:28]4[C@H:27]([OH:36])[C@@H:26]([OH:35])[C@H:24]([OH:33])[C@@H:20]([CH2:10][OH:29])[O:41]4)[CH:5]=[CH:3]2)=[CH:7][C:14]3=[O:30])[O:38]1 |
|