| Properties | Image |
|---|
| MNX_ID | MNXM1188594 |
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| reference | envipathM:...63f155db87af |
| formula | C32H24O16 |
| global charge | -2 |
| mol weight | 664.528 |
| InChIKey | WOSPPSTZXZTFEO-FOGDFJRCSA-L |
| InChI | InChI=1S/C32H26O16/c1-9(33)20-14(3-11(34)4-18(36)37)28(42)25-24(30(20)44)29(43)16(8-47-32(25)46)13-7-17(35)22-23(26(13)40)31(45)21-10(2)48-12(6-19(38)39)5-15(21)27(22)41/h7-10,12,33,41-42,44-45H,3-6H2,1-2H3,(H,36,37)(H,38,39)/p-2/t9-,10-,12+/m1/s1 |
| SMILES | C[C@@H](O)C1=C(O)C2=C(C(=O)OC=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)=C1CC(=O)CC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C32H26O16/c1-9(33)20-14(3-11(34)4-18(36)37)28(42)25-24(30(20)44)29(43)16(8-47-32(25)46)13-7-17(35)22-23(26(13)40)31(45)21-10(2)48-12(6-19(38)39)5-15(21)27(22)41/h7-10,12,33,41-42,44-45H,3-6H2,1-2H3,(H,36,37)(H,38,39)/t9-,10-,12+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:9]([C:20]1=[C:30]([OH:44])[C:24]2=[C:25]([C:28]([OH:42])=[C:14]1[CH2:3][C:11]([CH2:4][C:18](=[O:36])[OH:37])=[O:34])[C:32](=[O:46])[O:47][CH:8]=[C:16]([C:13]1=[CH:7][C:17](=[O:35])[C:22]3=[C:27]([OH:41])[C:15]4=[C:21]([C@@H:10]([CH3:2])[O:48][C@H:12]([CH2:6][C:19](=[O:38])[OH:39])[CH2:5]4)[C:31]([OH:45])=[C:23]3[C:26]1=[O:40])[C:29]2=[O:43])[OH:33] |
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