| Properties | Image |
|---|
| MNX_ID | MNXM1106930 |
 |
| reference | metacycM:CPD-18417 |
| formula | C19H26O8 |
| global charge | 0 |
| mol weight | 382.409 |
| InChIKey | JSKXQQKSUOVSKS-SVFUTFETSA-N |
| InChI | InChI=1S/C19H26O8/c1-9-5-13-18(7-24-10(2)20,15(23)14(9)22)17(4)6-12(26-11(3)21)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13-,14-,15-,16-,17-,18-,19?/m1/s1 |
| SMILES | CC(=O)OC[C@]12[C@H](O)[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)C12CO2 |
MNX internals
| InChI (mnx) | InChI=1/C19H26O8/c1-9-5-13-18(7-24-10(2)20,15(23)14(9)22)17(4)6-12(26-11(3)21)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13-,14-,15-,16-,17-,18-,19?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:9]1=[CH:5][C@@H:13]2[C@:18]([CH2:7][O:24][C:10]([CH3:2])=[O:20])([C@H:15]([OH:23])[C@@H:14]1[OH:22])[C@@:17]1([CH3:4])[CH2:6][C@@H:12]([O:26][C:11]([CH3:3])=[O:21])[C@H:16]([C:19]13[CH2:8][O:25]3)[O:27]2 |
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