| Properties | Image |
|---|
| MNX_ID | MNXM1367329 |
 |
| reference | chebi:177962 |
| formula | C26H36O12 |
| global charge | 0 |
| mol weight | 540.562 |
| InChIKey | SIVWXOPASOMQQC-QRTIIMGYSA-N |
| InChI | InChI=1S/C26H36O12/c1-4-13-15-6-20(29)34-9-16-12(3)18(5-14(16)11(2)7-27)36-24(33)17(15)10-35-25(13)38-26-23(32)22(31)21(30)19(8-28)37-26/h4,6,10-12,14,16,18-19,21-23,25-28,30-32H,5,7-9H2,1-3H3/b13-4?,15-6+/t11-,12+,14-,16+,18+,19+,21+,22-,23+,25?,26-/m0/s1 |
| SMILES | CC=C1/C2=C\C(=O)OC[C@@H]3[C@@H](C)[C@@H](C[C@H]3[C@@H](C)CO)OC(=O)C2=COC1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C26H36O12/c1-4-13-15-6-20(29)34-9-16-12(3)18(5-14(16)11(2)7-27)36-24(33)17(15)10-35-25(13)38-26-23(32)22(31)21(30)19(8-28)37-26/h4,6,10-12,14,16,18-19,21-23,25-28,30-32H,5,7-9H2,1-3H3/b13-4-,15-6+/t11-,12+,14-,16+,18+,19+,21+,22-,23+,25?,26-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:4]=[C:13]1[C:15]2=[CH:6]\[C:20](=[O:29])[O:34][CH2:9][C@@H:16]3[C@@H:12]([CH3:3])[C@@H:18]([CH2:5][C@H:14]3[C@@H:11]([CH3:2])[CH2:7][OH:27])[O:36][C:24](=[O:33])[C:17]/2=[CH:10][O:35][CH:25]/1[O:38][C@H:26]1[C@H:23]([OH:32])[C@@H:22]([OH:31])[C@H:21]([OH:30])[C@@H:19]([CH2:8][OH:28])[O:37]1 |
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