| Properties | Image |
|---|
| MNX_ID | MNXM1173829 |
 |
| reference | envipathM:...5407aae0eab3 |
| formula | C32H26O16 |
| global charge | -2 |
| mol weight | 666.544 |
| InChIKey | DLZCQCSVZQOTTA-GJHCWJEDSA-L |
| InChI | InChI=1S/C32H28O16/c1-8(33)18-12(3-10(34)4-16(36)37)26(41)23-24(28(18)43)30(45)20(31(46)32(23)47)14-7-15(35)21-22(27(14)42)29(44)19-9(2)48-11(6-17(38)39)5-13(19)25(21)40/h7,9-11,20,31,34,40-41,43-44,46H,3-6H2,1-2H3,(H,36,37)(H,38,39)/p-2/t9-,10+,11+,20?,31?/m1/s1 |
| SMILES | CC(=O)C1=C(O)C2=C(C(=O)C(O)C(C3=CC(=O)C4=C(C3=O)C(O)=C3C(=C4O)C[C@@H](CC(=O)[O-])O[C@@H]3C)C2=O)C(O)=C1C[C@H](O)CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C32H28O16/c1-8(33)18-12(3-10(34)4-16(36)37)26(41)23-24(28(18)43)30(45)20(31(46)32(23)47)14-7-15(35)21-22(27(14)42)29(44)19-9(2)48-11(6-17(38)39)5-13(19)25(21)40/h7,9-11,20,31,34,40-41,43-44,46H,3-6H2,1-2H3,(H,36,37)(H,38,39)/t9-,10+,11+,20?,31?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:8]([C:18]1=[C:12]([CH2:3][C@@H:10]([CH2:4][C:16](=[O:36])[OH:37])[OH:34])[C:26]([OH:41])=[C:23]2[C:24](=[C:28]1[OH:43])[C:30](=[O:45])[CH:20]([C:14]1=[CH:7][C:15](=[O:35])[C:21]3=[C:25]([OH:40])[C:13]4=[C:19]([C@@H:9]([CH3:2])[O:48][C@H:11]([CH2:6][C:17](=[O:38])[OH:39])[CH2:5]4)[C:29]([OH:44])=[C:22]3[C:27]1=[O:42])[CH:31]([OH:46])[C:32]2=[O:47])=[O:33] |
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