| Properties | Image |
|---|
| MNX_ID | MNXM108429 |
 |
| reference | chebi:70384 |
| formula | C22H30O7 |
| global charge | 0 |
| mol weight | 406.475 |
| InChIKey | FOZIRCRTSCHOHT-TUXYLBHMSA-N |
| InChI | InChI=1S/C22H30O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)28-10-22(17)15(9-23)20(3,4)6-5-16(22)29-12(2)24/h9,11,13-17,25H,5-8,10H2,1-4H3/t11-,13-,14+,15-,16+,17-,21+,22+/m1/s1 |
| SMILES | CC(=O)O[C@H]1CCC(C)(C)[C@@H](C=O)[C@@]12COC(=O)[C@@]13C[C@@H](C[C@H](O)[C@H]12)[C@@H](C)C3=O |
MNX internals
| InChI (mnx) | InChI=1/C22H30O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)28-10-22(17)15(9-23)20(3,4)6-5-16(22)29-12(2)24/h9,11,13-17,25H,5-8,10H2,1-4H3/t11-,13-,14+,15-,16+,17-,21+,22+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:11]1[C@@H:13]2[CH2:7][C@H:14]([OH:25])[C@@H:17]3[C@@:21]([CH2:8]2)([C:18]1=[O:26])[C:19](=[O:27])[O:28][CH2:10][C@@:22]31[C@H:15]([CH:9]=[O:23])[C:20]([CH3:3])([CH3:4])[CH2:6][CH2:5][C@@H:16]1[O:29][C:12]([CH3:2])=[O:24] |
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