| Properties | Image |
|---|
| MNX_ID | MNXM103833 |
 |
| reference | chebi:70748 |
| formula | C27H36O9 |
| global charge | 0 |
| mol weight | 504.576 |
| InChIKey | RXQHGRDQAGUJLF-NISFGDLFSA-N |
| InChI | InChI=1S/C27H36O9/c1-2-4-18-17(30)9-10-19-20(33-18)11-12-21-23(34-19)13-24-27(36-21)25(31)26-22(35-24)6-3-5-16(32-26)8-7-15(29)14-28/h2-3,5,7-12,15-31H,1,4,6,13-14H2/b8-7+/t15-,16+,17-,18+,19+,20-,21+,22-,23-,24+,25+,26-,27+/m0/s1 |
| SMILES | C=CC[C@H]1O[C@H]2C=C[C@H]3O[C@H]4[C@H](O)[C@H]5O[C@@H](/C=C/[C@H](O)CO)C=CC[C@@H]5O[C@@H]4C[C@@H]3O[C@@H]2C=C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H36O9/c1-2-4-18-17(30)9-10-19-20(33-18)11-12-21-23(34-19)13-24-27(36-21)25(31)26-22(35-24)6-3-5-16(32-26)8-7-15(29)14-28/h2-3,5,7-12,15-31H,1,4,6,13-14H2/b8-7+/t15-,16+,17-,18+,19+,20-,21+,22-,23-,24+,25+,26-,27+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:2][CH2:4][C@@H:18]1[C@@H:17]([OH:30])[CH:9]=[CH:10][C@@H:19]2[C@H:20]([CH:11]=[CH:12][C@@H:21]3[C@H:23]([CH2:13][C@@H:24]4[C@H:27]([C@H:25]([OH:31])[C@@H:26]5[C@H:22]([CH2:6][CH:3]=[CH:5][C@H:16](/[CH:8]=[CH:7]/[C@@H:15]([CH2:14][OH:28])[OH:29])[O:32]5)[O:35]4)[O:36]3)[O:34]2)[O:33]1 |
|