| Properties | Image |
|---|
| MNX_ID | MNXM52960 |
 |
| reference | chebi:4933 |
| formula | C22H28O7 |
| global charge | 0 |
| mol weight | 404.459 |
| InChIKey | JWMHJIFDEKQJQY-RQTLWOOHSA-N |
| InChI | InChI=1S/C22H28O7/c1-7-11(2)21(25)29-20-18-14(5)22(26)28-17(18)10-13(4)16(27-15(6)23)9-8-12(3)19(20)24/h7-8,10,16-20,24H,5,9H2,1-4,6H3/b11-7-,12-8+,13-10-/t16-,17+,18-,19?,20-/m0/s1 |
| SMILES | C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C/C=C(\C)C(O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C22H28O7/c1-7-11(2)21(25)29-20-18-14(5)22(26)28-17(18)10-13(4)16(27-15(6)23)9-8-12(3)19(20)24/h7-8,10,16-20,24H,5,9H2,1-4,6H3/b11-7-,12-8+,13-10-/t16-,17+,18-,19?,20-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:7]=[C:11](/[CH3:2])[C:21](=[O:25])[O:29][C@H:20]1[C@H:18]2[C:14](=[CH2:5])[C:22](=[O:26])[O:28][C@@H:17]2/[CH:10]=[C:13](/[CH3:4])[C@@H:16]([O:27][C:15]([CH3:6])=[O:23])[CH2:9]/[CH:8]=[C:12](\[CH3:3])[CH:19]1[OH:24] |
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