| Properties | Image |
|---|
| MNX_ID | MNXM105337 |
 |
| reference | chebi:65957 |
| formula | C25H32O12 |
| global charge | 0 |
| mol weight | 524.519 |
| InChIKey | RLIILNKNNUJZAL-HPBWOJKHSA-N |
| InChI | InChI=1S/C25H32O12/c1-11-6-17-20(13(8-26)24(33)36-17)14(11)9-35-25-23(32)22(31)21(30)18(37-25)10-34-19(29)5-3-12-2-4-15(27)16(28)7-12/h2-5,7,11,13-14,17-18,20-23,25-28,30-32H,6,8-10H2,1H3/b5-3+/t11-,13-,14+,17-,18+,20+,21+,22-,23+,25+/m0/s1 |
| SMILES | C[C@H]1C[C@@H]2OC(=O)[C@@H](CO)[C@@H]2[C@@H]1CO[C@@H]1O[C@H](COC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C25H32O12/c1-11-6-17-20(13(8-26)24(33)36-17)14(11)9-35-25-23(32)22(31)21(30)18(37-25)10-34-19(29)5-3-12-2-4-15(27)16(28)7-12/h2-5,7,11,13-14,17-18,20-23,25-28,30-32H,6,8-10H2,1H3/b5-3+/t11-,13-,14+,17-,18+,20+,21+,22-,23+,25+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:11]1[CH2:6][C@H:17]2[C@H:20]([C@H:13]([CH2:8][OH:26])[C:24](=[O:33])[O:36]2)[C@@H:14]1[CH2:9][O:35][C@H:25]1[C@H:23]([OH:32])[C@@H:22]([OH:31])[C@H:21]([OH:30])[C@@H:18]([CH2:10][O:34][C:19](/[CH:5]=[CH:3]/[C:12]2=[CH:7][C:16]([OH:28])=[C:15]([OH:27])[CH:4]=[CH:2]2)=[O:29])[O:37]1 |
|