| Properties | Image |
|---|
| MNX_ID | MNXM1195512 |
 |
| reference | envipathM:...6ec7ff2c25dd |
| formula | C32H24O16 |
| global charge | -2 |
| mol weight | 664.528 |
| InChIKey | WRXQOCOSKYYPKY-WYUUTHIRSA-L |
| InChI | InChI=1S/C32H26O16/c1-9-21-15(3-11(45-9)5-17(33)34)27(41)31-23(29(21)43)25(39)13(7-19(37)47-31)14-8-20(38)48-32-24(26(14)40)30(44)22-10(2)46-12(6-18(35)36)4-16(22)28(32)42/h7-12,41-44H,3-6H2,1-2H3,(H,33,34)(H,35,36)/p-2/t9-,10-,11+,12+/m1/s1 |
| SMILES | C[C@H]1O[C@H](CC(=O)[O-])CC2=C(O)C3=C(C(=O)C(C4=CC(=O)OC5=C(C4=O)C(O)=C4C(=C5O)C[C@@H](CC(=O)[O-])O[C@@H]4C)=CC(=O)O3)C(O)=C21 |
MNX internals
| InChI (mnx) | InChI=1/C32H26O16/c1-9-21-15(3-11(45-9)5-17(33)34)27(41)31-23(29(21)43)25(39)13(7-19(37)47-31)14-8-20(38)48-32-24(26(14)40)30(44)22-10(2)46-12(6-18(35)36)4-16(22)28(32)42/h7-12,41-44H,3-6H2,1-2H3,(H,33,34)(H,35,36)/t9-,10-,11+,12+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:9]1[C:21]2=[C:15]([CH2:3][C@@H:11]([CH2:5][C:17](=[O:33])[OH:34])[O:45]1)[C:27]([OH:41])=[C:31]1[C:23](=[C:29]2[OH:43])[C:25](=[O:39])[C:13]([C:14]2=[CH:8][C:20](=[O:38])[O:48][C:32]3=[C:28]([OH:42])[C:16]4=[C:22]([C@@H:10]([CH3:2])[O:46][C@H:12]([CH2:6][C:18](=[O:35])[OH:36])[CH2:4]4)[C:30]([OH:44])=[C:24]3[C:26]2=[O:40])=[CH:7][C:19](=[O:37])[O:47]1 |
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