| Properties | Image |
|---|
| MNX_ID | MNXM48713 |
 |
| reference | chebi:55550 |
| formula | C30H36O16 |
| global charge | 0 |
| mol weight | 652.602 |
| InChIKey | OBZQFWQGMXWKEI-VUYKUYEJSA-N |
| InChI | InChI=1S/C30H36O16/c1-38-16-7-20(41-4)18(39-2)5-13(16)15-9-42-17-8-21(19(40-3)6-14(17)23(15)32)45-28-26(35)25(34)24(33)22(46-28)10-43-29-27(36)30(37,11-31)12-44-29/h5-9,22,24-29,31,33-37H,10-12H2,1-4H3/t22-,24-,25+,26-,27+,28-,29-,30-/m1/s1 |
| SMILES | COC1=CC(OC)=C(OC)C=C1C1=COC2=CC(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=C(OC)C=C2C1=O |
MNX internals
| InChI (mnx) | InChI=1/C30H36O16/c1-38-16-7-20(41-4)18(39-2)5-13(16)15-9-42-17-8-21(19(40-3)6-14(17)23(15)32)45-28-26(35)25(34)24(33)22(46-28)10-43-29-27(36)30(37,11-31)12-44-29/h5-9,22,24-29,31,33-37H,10-12H2,1-4H3/t22-,24-,25+,26-,27+,28-,29-,30-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:38][C:16]1=[CH:7][C:20]([O:41][CH3:4])=[C:18]([O:39][CH3:2])[CH:5]=[C:13]1[C:15]1=[CH:9][O:42][C:17]2=[CH:8][C:21]([O:45][C@H:28]3[C@H:26]([OH:35])[C@@H:25]([OH:34])[C@H:24]([OH:33])[C@@H:22]([CH2:10][O:43][C@H:29]4[C@H:27]([OH:36])[C@:30]([CH2:11][OH:31])([OH:37])[CH2:12][O:44]4)[O:46]3)=[C:19]([O:40][CH3:3])[CH:6]=[C:14]2[C:23]1=[O:32] |
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