| Properties | Image |
|---|
| MNX_ID | MNXM115223 |
 |
| reference | metacycM:CPD-16683 |
| formula | C26H36O11 |
| global charge | 0 |
| mol weight | 524.563 |
| InChIKey | DRLPXFRWJUZTMG-NRLWBMKUSA-N |
| InChI | InChI=1S/C26H36O11/c1-34-20-9-14(3-5-18(20)29)7-16(11-27)17(8-15-4-6-19(30)21(10-15)35-2)13-36-26-25(33)24(32)23(31)22(12-28)37-26/h3-6,9-10,16-17,22-33H,7-8,11-13H2,1-2H3/t16-,17-,22+,23+,24-,25+,26+/m1/s1 |
| SMILES | COC1=CC(C[C@H](CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)CC2=CC(OC)=C(O)C=C2)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C26H36O11/c1-34-20-9-14(3-5-18(20)29)7-16(11-27)17(8-15-4-6-19(30)21(10-15)35-2)13-36-26-25(33)24(32)23(31)22(12-28)37-26/h3-6,9-10,16-17,22-33H,7-8,11-13H2,1-2H3/t16-,17-,22+,23+,24-,25+,26+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:34][C:20]1=[C:18]([OH:29])[CH:5]=[CH:3][C:14]([CH2:7][C@H:16]([CH2:11][OH:27])[C@H:17]([CH2:8][C:15]2=[CH:10][C:21]([O:35][CH3:2])=[C:19]([OH:30])[CH:6]=[CH:4]2)[CH2:13][O:36][C@@H:26]2[C@@H:25]([OH:33])[C@H:24]([OH:32])[C@@H:23]([OH:31])[C@H:22]([CH2:12][OH:28])[O:37]2)=[CH:9]1 |
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