| Properties | Image |
|---|
| MNX_ID | MNXM1187510 |
 |
| reference | envipathM:...6d29c417d7d3 |
| formula | C32H26O16 |
| global charge | -2 |
| mol weight | 666.544 |
| InChIKey | UFPQIDHAKDVOOJ-SLBXTKJYSA-L |
| InChI | InChI=1S/C32H28O16/c1-9-19-14(4-12(47-9)6-18(36)37)26(39)24-22(28(19)41)27(40)15(8-46-31(24)44)32(45)7-16(33)21-23(30(32)43)29(42)20-10(2)48-11(5-17(34)35)3-13(20)25(21)38/h8-12,38-39,41-42,45H,3-7H2,1-2H3,(H,34,35)(H,36,37)/p-2/t9-,10-,11+,12+,32?/m1/s1 |
| SMILES | C[C@H]1O[C@H](CC(=O)[O-])CC2=C(O)C3=C(C(=O)C(C4(O)CC(=O)C5=C(C4=O)C(O)=C4C(=C5O)C[C@@H](CC(=O)[O-])O[C@@H]4C)=COC3=O)C(O)=C21 |
MNX internals
| InChI (mnx) | InChI=1/C32H28O16/c1-9-19-14(4-12(47-9)6-18(36)37)26(39)24-22(28(19)41)27(40)15(8-46-31(24)44)32(45)7-16(33)21-23(30(32)43)29(42)20-10(2)48-11(5-17(34)35)3-13(20)25(21)38/h8-12,38-39,41-42,45H,3-7H2,1-2H3,(H,34,35)(H,36,37)/t9-,10-,11+,12+,32?/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:9]1[C:19]2=[C:14]([CH2:4][C@@H:12]([CH2:6][C:18](=[O:36])[OH:37])[O:47]1)[C:26]([OH:39])=[C:24]1[C:22](=[C:28]2[OH:41])[C:27](=[O:40])[C:15]([C:32]2([OH:45])[CH2:7][C:16](=[O:33])[C:21]3=[C:25]([OH:38])[C:13]4=[C:20]([C@@H:10]([CH3:2])[O:48][C@H:11]([CH2:5][C:17](=[O:34])[OH:35])[CH2:3]4)[C:29]([OH:42])=[C:23]3[C:30]2=[O:43])=[CH:8][O:46][C:31]1=[O:44] |
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