| Properties | Image |
|---|
| MNX_ID | MNXM1191957 |
 |
| reference | envipathM:...13bef88a3c5b |
| formula | C32H26O16 |
| global charge | -2 |
| mol weight | 666.544 |
| InChIKey | AUHGILVLCSKFIH-APEQMOHMSA-L |
| InChI | InChI=1S/C32H28O16/c1-9(33)20-13(3-11(34)4-18(37)38)26(41)22-16(35)7-15(28(43)24(22)29(20)44)32(47)8-17(36)23-25(31(32)46)30(45)21-10(2)48-12(6-19(39)40)5-14(21)27(23)42/h7,9-10,12,33,41-42,44-45,47H,3-6,8H2,1-2H3,(H,37,38)(H,39,40)/p-2/t9-,10-,12+,32?/m1/s1 |
| SMILES | C[C@@H](O)C1=C(O)C2=C(C(=O)C=C(C3(O)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/C32H28O16/c1-9(33)20-13(3-11(34)4-18(37)38)26(41)22-16(35)7-15(28(43)24(22)29(20)44)32(47)8-17(36)23-25(31(32)46)30(45)21-10(2)48-12(6-19(39)40)5-14(21)27(23)42/h7,9-10,12,33,41-42,44-45,47H,3-6,8H2,1-2H3,(H,37,38)(H,39,40)/t9-,10-,12+,32?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:9]([C:20]1=[C:29]([OH:44])[C:24]2=[C:22]([C:16](=[O:35])[CH:7]=[C:15]([C:32]3([OH:47])[CH2:8][C:17](=[O:36])[C:23]4=[C:27]([OH:42])[C:14]5=[C:21]([C@@H:10]([CH3:2])[O:48][C@H:12]([CH2:6][C:19](=[O:39])[OH:40])[CH2:5]5)[C:30]([OH:45])=[C:25]4[C:31]3=[O:46])[C:28]2=[O:43])[C:26]([OH:41])=[C:13]1[CH2:3][C:11]([CH2:4][C:18](=[O:37])[OH:38])=[O:34])[OH:33] |
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