| Properties | Image |
|---|
| MNX_ID | MNXM164279 |
 |
| reference | metacycM:CPD-18425 |
| formula | C19H24O9 |
| global charge | 0 |
| mol weight | 396.392 |
| InChIKey | PIHGROVBUUNPDW-KAECGEELSA-N |
| InChI | InChI=1S/C19H24O9/c1-8-5-11-18(6-25-9(2)20,14(24)12(8)22)17(4)15(27-10(3)21)13(23)16(28-11)19(17)7-26-19/h5,11,13-16,23-24H,6-7H2,1-4H3/t11-,13-,14-,15-,16-,17-,18-,19?/m1/s1 |
| SMILES | CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)C12CO2 |
MNX internals
| InChI (mnx) | InChI=1/C19H24O9/c1-8-5-11-18(6-25-9(2)20,14(24)12(8)22)17(4)15(27-10(3)21)13(23)16(28-11)19(17)7-26-19/h5,11,13-16,23-24H,6-7H2,1-4H3/t11-,13-,14-,15-,16-,17-,18-,19?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:8]1=[CH:5][C@@H:11]2[C@:18]([CH2:6][O:25][C:9]([CH3:2])=[O:20])([C@H:14]([OH:24])[C:12]1=[O:22])[C@@:17]1([CH3:4])[C@H:15]([O:27][C:10]([CH3:3])=[O:21])[C@@H:13]([OH:23])[C@H:16]([C:19]13[CH2:7][O:26]3)[O:28]2 |
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