| Properties | Image |
|---|
| MNX_ID | MNXM1131158 |
 |
| reference | lipidmapsM:LMPR0103090019 |
| formula | C20H22O7 |
| global charge | 0 |
| mol weight | 374.389 |
| InChIKey | ASEQKKRQQIRJEC-ITGJHDPNSA-N |
| InChI | InChI=1S/C20H22O7/c1-5-9(2)18(22)26-14-8-12-7-13(25-20(12)24)6-10(3)16(21)17-15(14)11(4)19(23)27-17/h5,7,13-17,21H,3-4,6,8H2,1-2H3/b9-5-/t13-,14-,15+,16+,17-/m0/s1 |
| SMILES | C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C\C)CC1=C[C@H](CC(=C)[C@H]2O)OC1=O |
MNX internals
| InChI (mnx) | InChI=1/C20H22O7/c1-5-9(2)18(22)26-14-8-12-7-13(25-20(12)24)6-10(3)16(21)17-15(14)11(4)19(23)27-17/h5,7,13-17,21H,3-4,6,8H2,1-2H3/b9-5-/t13-,14-,15+,16+,17-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:5]=[C:9](/[CH3:2])[C:18](=[O:22])[O:26][C@H:14]1[CH2:8][C:12]2=[CH:7][C@H:13]([CH2:6][C:10](=[CH2:3])[C@@H:16]([OH:21])[C@@H:17]3[C@@H:15]1[C:11](=[CH2:4])[C:19](=[O:23])[O:27]3)[O:25][C:20]2=[O:24] |
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