| Properties | Image |
|---|
| MNX_ID | MNXM739689 |
 |
| reference | biggM:CE5853 |
| formula | C22H29O10 |
| global charge | -1 |
| mol weight | 453.464 |
| InChIKey | ZYZYJRHWJQUARI-DRLIGIOESA-M |
| InChI | InChI=1S/C22H30O10/c1-9-10(2)18-12(11(3)14(9)24)5-7-22(4,32-18)8-6-13(23)30-21-17(27)15(25)16(26)19(31-21)20(28)29/h15-17,19,21,24-27H,5-8H2,1-4H3,(H,28,29)/p-1/t15-,16+,17-,19-,21+,22?/m1/s1 |
| SMILES | CC1=C(C)C2=C(CCC(C)(CCC(=O)O[C@H]3O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]3O)O2)C(C)=C1[O-] |
MNX internals
| InChI (mnx) | InChI=1/C22H30O10/c1-9-10(2)18-12(11(3)14(9)24)5-7-22(4,32-18)8-6-13(23)30-21-17(27)15(25)16(26)19(31-21)20(28)29/h15-17,19,21,24-27H,5-8H2,1-4H3,(H,28,29)/t15-,16+,17-,19-,21+,22?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:9]1=[C:14]([OH:24])[C:11]([CH3:3])=[C:12]2[CH2:5][CH2:7][C:22]([CH3:4])([CH2:8][CH2:6][C:13](=[O:23])[O:30][C@@H:21]3[C@H:17]([OH:27])[C@H:15]([OH:25])[C@H:16]([OH:26])[C@H:19]([C:20](=[O:28])[OH:29])[O:31]3)[O:32][C:18]2=[C:10]1[CH3:2] |
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