| Properties | Image |
|---|
| MNX_ID | MNXM102627 |
 |
| reference | chebi:65389 |
| formula | C32H26O13 |
| global charge | 0 |
| mol weight | 618.547 |
| InChIKey | WNKYPOGUIDZODB-BVEPWEIPSA-N |
| InChI | InChI=1S/C32H26O13/c1-9-5-10-11(6-13(9)33)25(36)17-12(24(10)35)7-15(44-3)20(26(17)37)19-16(45-4)8-14(34)18-21(19)28(39)23-22(27(18)38)29(40)31(42)32(2,43)30(23)41/h5-8,29-31,33-34,37,40-43H,1-4H3/t29-,30+,31+,32-/m0/s1 |
| SMILES | COC1=CC2=C(C(=O)C3=C(C=C(C)C(O)=C3)C2=O)C(O)=C1C1=C2C(=O)C3=C(C(=O)C2=C(O)C=C1OC)[C@H](O)[C@@H](O)[C@@](C)(O)[C@@H]3O |
MNX internals
| InChI (mnx) | InChI=1/C32H26O13/c1-9-5-10-11(6-13(9)33)25(36)17-12(24(10)35)7-15(44-3)20(26(17)37)19-16(45-4)8-14(34)18-21(19)28(39)23-22(27(18)38)29(40)31(42)32(2,43)30(23)41/h5-8,29-31,33-34,37,40-43H,1-4H3/t29-,30+,31+,32-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:9]1=[CH:5][C:10]2=[C:11]([CH:6]=[C:13]1[OH:33])[C:25](=[O:36])[C:17]1=[C:26]([OH:37])[C:20]([C:19]3=[C:16]([O:45][CH3:4])[CH:8]=[C:14]([OH:34])[C:18]4=[C:21]3[C:28](=[O:39])[C:23]3=[C:22]([C:27]4=[O:38])[C@H:29]([OH:40])[C@@H:31]([OH:42])[C@@:32]([CH3:2])([OH:43])[C@@H:30]3[OH:41])=[C:15]([O:44][CH3:3])[CH:7]=[C:12]1[C:24]2=[O:35] |
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