| Properties | Image |
|---|
| MNX_ID | MNXM106302 |
 |
| reference | chebi:69639 |
| formula | C25H28O12 |
| global charge | 0 |
| mol weight | 520.487 |
| InChIKey | JANONPLUBJJWRY-LDRWPHMTSA-N |
| InChI | InChI=1S/C25H28O12/c1-2-12-13-8-15(17(19(28)22(31)32)11-6-4-3-5-7-11)35-23(33)14(13)10-34-24(12)37-25-21(30)20(29)18(27)16(9-26)36-25/h2-7,10,12-13,15-16,18,20-21,24-30H,1,8-9H2,(H,31,32)/b19-17+/t12-,13+,15-,16-,18-,20+,21-,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)O[C@@H](/C(C3=CC=CC=C3)=C(/O)C(=O)O)C[C@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C25H28O12/c1-2-12-13-8-15(17(19(28)22(31)32)11-6-4-3-5-7-11)35-23(33)14(13)10-34-24(12)37-25-21(30)20(29)18(27)16(9-26)36-25/h2-7,10,12-13,15-16,18,20-21,24-30H,1,8-9H2,(H,31,32)/b19-17+/t12-,13+,15-,16-,18-,20+,21-,24+,25+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:2][C@@H:12]1[C@@H:13]2[CH2:8][C@H:15](/[C:17]([C:11]3=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]3)=[C:19](\[C:22](=[O:31])[OH:32])[OH:28])[O:35][C:23](=[O:33])[C:14]2=[CH:10][O:34][C@H:24]1[O:37][C@H:25]1[C@H:21]([OH:30])[C@@H:20]([OH:29])[C@H:18]([OH:27])[C@@H:16]([CH2:9][OH:26])[O:36]1 |
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