| Properties | Image |
|---|
| MNX_ID | MNXM1131172 |
 |
| reference | lipidmapsM:LMPR0103090033 |
| formula | C20H24O7 |
| global charge | 0 |
| mol weight | 376.405 |
| InChIKey | MUAPRESCLYWXJZ-UNHPQYQISA-N |
| InChI | InChI=1S/C20H24O7/c1-4-11(3)18(22)25-9-14-17-15(21)6-10(2)5-13-7-12(19(23)26-13)8-16(17)27-20(14)24/h4,6-7,13-17,21H,5,8-9H2,1-3H3/b10-6?,11-4-/t13-,14+,15+,16-,17-/m0/s1 |
| SMILES | C/C=C(/C)C(=O)OC[C@H]1C(=O)O[C@H]2CC3=C[C@H](CC(C)=C[C@@H](O)[C@@H]21)OC3=O |
MNX internals
| InChI (mnx) | InChI=1/C20H24O7/c1-4-11(3)18(22)25-9-14-17-15(21)6-10(2)5-13-7-12(19(23)26-13)8-16(17)27-20(14)24/h4,6-7,13-17,21H,5,8-9H2,1-3H3/b10-6?,11-4-/t13-,14+,15+,16-,17-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:4]=[C:11](/[CH3:3])[C:18](=[O:22])[O:25][CH2:9][C@@H:14]1[C@H:17]2[C@H:15]([OH:21])[CH:6]=[C:10]([CH3:2])[CH2:5][C@H:13]3[CH:7]=[C:12]([CH2:8][C@@H:16]2[O:27][C:20]1=[O:24])[C:19](=[O:23])[O:26]3 |
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