| Properties | Image |
|---|
| MNX_ID | MNXM103730 |
 |
| reference | chebi:67398 |
| formula | C18H22O6 |
| global charge | 0 |
| mol weight | 334.368 |
| InChIKey | POKFFFWIOJPOJZ-OADPAQMCSA-N |
| InChI | InChI=1S/C18H22O6/c1-5-8(2)15(20)13-14-12-10(6-9(3)23-16(12)21)7-11(19)18(14,4)24-17(13)22/h6-8,12-14,16,21H,5H2,1-4H3/t8-,12+,13-,14+,16-,18-/m0/s1 |
| SMILES | CC[C@H](C)C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(C)O[C@H](O)[C@H]3[C@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C18H22O6/c1-5-8(2)15(20)13-14-12-10(6-9(3)23-16(12)21)7-11(19)18(14,4)24-17(13)22/h6-8,12-14,16,21H,5H2,1-4H3/t8-,12+,13-,14+,16-,18-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C@H:8]([CH3:2])[C:15]([C@@H:13]1[C@H:14]2[C@H:12]3[C:10](=[CH:7][C:11](=[O:19])[C@:18]2([CH3:4])[O:24][C:17]1=[O:22])[CH:6]=[C:9]([CH3:3])[O:23][C@@H:16]3[OH:21])=[O:20] |
|