| Properties | Image |
|---|
| MNX_ID | MNXM50394 |
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| reference | hmdb:HMDB0031726 |
| formula | C26H32O14 |
| global charge | 0 |
| mol weight | 568.528 |
| InChIKey | HPSWAEGGWLOOKT-UPHRSURJSA-N |
| InChI | InChI=1S/C26H32O14/c27-9-17-19(31)21(33)23(35)25(39-17)37-14-4-3-12(16(30)8-14)2-1-11-5-13(29)7-15(6-11)38-26-24(36)22(34)20(32)18(10-28)40-26/h1-8,17-36H,9-10H2/b2-1- |
| SMILES | OCC1OC(OC2=CC(/C=C\C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3)=CC(O)=C2)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C26H32O14/c27-9-17-19(31)21(33)23(35)25(39-17)37-14-4-3-12(16(30)8-14)2-1-11-5-13(29)7-15(6-11)38-26-24(36)22(34)20(32)18(10-28)40-26/h1-8,17-36H,9-10H2/b2-1-/t17?,18?,19?,20?,21?,22?,23?,24?,25?,26? |
 |
| SMILES (mnx) | [CH:1](=[CH:2]\[C:12]1=[C:16]([OH:30])[CH:8]=[C:14]([O:37][CH:25]2[CH:23]([OH:35])[CH:21]([OH:33])[CH:19]([OH:31])[CH:17]([CH2:9][OH:27])[O:39]2)[CH:4]=[CH:3]1)\[C:11]1=[CH:5][C:13]([OH:29])=[CH:7][C:15]([O:38][CH:26]2[CH:24]([OH:36])[CH:22]([OH:34])[CH:20]([OH:32])[CH:18]([CH2:10][OH:28])[O:40]2)=[CH:6]1 |
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