| Properties | Image |
|---|
| MNX_ID | MNXM47350 |
 |
| reference | chebi:3768 |
| formula | C20H26O7 |
| global charge | 0 |
| mol weight | 378.421 |
| InChIKey | ZTDFZLVUIVPZDU-QGNHJMHWSA-N |
| InChI | InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1 |
| SMILES | C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:11]1=[CH:5]\[CH2:4][CH2:6]/[C:14]([CH2:9][OH:21])=[CH:8]/[C@@H:17]2[C@H:18]([C:13](=[CH2:3])[C:20](=[O:25])[O:27]2)[C@@H:16]([O:26][C:19]([C:12](=[CH2:2])[C@H:15]([CH2:10][OH:22])[OH:23])=[O:24])[CH2:7]1 |
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