| Properties | Image |
|---|
| MNX_ID | MNXM105804 |
 |
| reference | chebi:67662 |
| formula | C22H30O7 |
| global charge | 0 |
| mol weight | 406.475 |
| InChIKey | FVWUMQGTOQVUIL-NOILNLMISA-N |
| InChI | InChI=1S/C22H30O7/c1-10-12-8-21(17(10)25)14(7-13(12)24)20-9-28-22(21,27)18(26)16(20)19(3,4)6-5-15(20)29-11(2)23/h7,12-13,15-18,24-27H,1,5-6,8-9H2,2-4H3/t12-,13-,15-,16+,17+,18-,20+,21-,22-/m0/s1 |
| SMILES | C=C1[C@@H](O)[C@]23C[C@@H]1[C@@H](O)C=C2[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C22H30O7/c1-10-12-8-21(17(10)25)14(7-13(12)24)20-9-28-22(21,27)18(26)16(20)19(3,4)6-5-15(20)29-11(2)23/h7,12-13,15-18,24-27H,1,5-6,8-9H2,2-4H3/t12-,13-,15-,16+,17+,18-,20+,21-,22-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:10]1[C@@H:12]2[CH2:8][C@:21]3([C:14](=[CH:7][C@@H:13]2[OH:24])[C@@:20]24[CH2:9][O:28][C@@:22]3([OH:27])[C@@H:18]([OH:26])[C@@H:16]2[C:19]([CH3:3])([CH3:4])[CH2:6][CH2:5][C@@H:15]4[O:29][C:11]([CH3:2])=[O:23])[C@@H:17]1[OH:25] |
|