| Properties | Image |
|---|
| MNX_ID | MNXM527492 |
 |
| reference | chebi:140301 |
| formula | C21H11O8*9 |
| global charge | 0 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]C1=C(C2=C([*])C([*])=C([*])C([*])=C2[*])C(=O)C2=C([*])C([*])=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C([*])=C2O1 |
MNX internals
| InChI (mnx) | InChI=1/C30H38O8/c1-11-12(2)14(4)21(15(5)13(11)3)23-19(9)36-29-18(8)28(17(7)16(6)22(29)25(23)33)38-30-27(35)26(34)24(32)20(10-31)37-30/h20,24,26-27,30-32,34-35H,10H2,1-9H3/t20-,24-,26+,27-,30+/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1 |
 |
| SMILES (mnx) | [13CH3:1][C:11]1=[C:12]([13CH3:2])[C:14]([13CH3:4])=[C:21]([C:23]2=[C:19]([13CH3:9])[O:36][C:29]3=[C:22]([C:16]([13CH3:6])=[C:17]([13CH3:7])[C:28]([O:38][C@H:30]4[C@H:27]([OH:35])[C@@H:26]([OH:34])[C@H:24]([OH:32])[C@@H:20]([CH2:10][OH:31])[O:37]4)=[C:18]3[13CH3:8])[C:25]2=[O:33])[C:15]([13CH3:5])=[C:13]1[13CH3:3] |
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