| Properties | Image |
|---|
| MNX_ID | MNXM46256 |
 |
| reference | chebi:3580 |
| formula | C32H32O14 |
| global charge | 0 |
| mol weight | 640.594 |
| InChIKey | PONPPNYZKHNPKZ-RYBWXQSLSA-N |
| InChI | InChI=1S/C32H32O14/c1-10-8-9-15-18-16(10)29(38)45-26-17-13(23(35)20(19(18)26)30(39)43-15)6-5-7-14(17)44-32-28(24(36)21(33)11(2)42-32)46-31-25(37)27(40-4)22(34)12(3)41-31/h5-9,11-12,21-22,24-25,27-28,31-37H,1-4H3/t11-,12-,21+,22+,24+,25-,27+,28-,31-,32+/m1/s1 |
| SMILES | CO[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@H]2[C@H](OC3=CC=CC4=C3C3=C5C(=C4O)C(=O)OC4=CC=C(C)C(=C45)C(=O)O3)O[C@H](C)[C@H](O)[C@@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C32H32O14/c1-10-8-9-15-18-16(10)29(38)45-26-17-13(23(35)20(19(18)26)30(39)43-15)6-5-7-14(17)44-32-28(24(36)21(33)11(2)42-32)46-31-25(37)27(40-4)22(34)12(3)41-31/h5-9,11-12,21-22,24-25,27-28,31-37H,1-4H3/t11-,12-,21+,22+,24+,25-,27+,28-,31-,32+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:10]1=[C:16]2[C:18]3=[C:15]([CH:9]=[CH:8]1)[O:43][C:30](=[O:39])[C:20]1=[C:23]([OH:35])[C:13]4=[C:17]([C:14]([O:44][C@H:32]5[C@H:28]([O:46][C@@H:31]6[C@H:25]([OH:37])[C@@H:27]([O:40][CH3:4])[C@@H:22]([OH:34])[C@@H:12]([CH3:3])[O:41]6)[C@@H:24]([OH:36])[C@@H:21]([OH:33])[C@@H:11]([CH3:2])[O:42]5)=[CH:7][CH:5]=[CH:6]4)[C:26](=[C:19]31)[O:45][C:29]2=[O:38] |
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