| Properties | Image |
|---|
| MNX_ID | MNXM164190 |
 |
| reference | metacycM:CPD-18412 |
| formula | C19H26O7 |
| global charge | 0 |
| mol weight | 366.41 |
| InChIKey | ZPPOOYJPNZHNBT-OJDFBNRNSA-N |
| InChI | InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(25-12(3)21)15(22)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19?/m1/s1 |
| SMILES | CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)[C@@H](O)[C@@]2(C)C12CO2 |
MNX internals
| InChI (mnx) | InChI=1/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(25-12(3)21)15(22)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:10]1=[CH:7][C@@H:13]2[C@:18]([CH2:8][O:23][C:11]([CH3:2])=[O:20])([CH2:6][CH2:5]1)[C@@:17]1([CH3:4])[C@H:15]([OH:22])[C@@H:14]([O:25][C:12]([CH3:3])=[O:21])[C@H:16]([C:19]13[CH2:9][O:24]3)[O:26]2 |
|