| Properties | Image |
|---|
| MNX_ID | MNXM1131219 |
 |
| reference | lipidmapsM:LMPR0103540016 |
| formula | C19H22O7 |
| global charge | 0 |
| mol weight | 362.378 |
| InChIKey | YDTYMAVGTVLFGQ-ZOGDNYDFSA-N |
| InChI | InChI=1S/C19H22O7/c1-5-8-6-18(26-15(8)21)13-14(25-13)19(23)10-9(7(2)3)11(24-16(10)22)12(20)17(18,19)4/h5,9-14,20,23H,2,6H2,1,3-4H3/b8-5+/t9-,10+,11+,12+,13+,14-,17-,18+,19-/m0/s1 |
| SMILES | C=C(C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(C/C(=C\C)C(=O)O3)[C@]1(C)[C@@H]2O |
MNX internals
| InChI (mnx) | InChI=1/C19H22O7/c1-5-8-6-18(26-15(8)21)13-14(25-13)19(23)10-9(7(2)3)11(24-16(10)22)12(20)17(18,19)4/h5,9-14,20,23H,2,6H2,1,3-4H3/b8-5+/t9-,10+,11+,12+,13+,14-,17-,18+,19-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:5]=[C:8]1\[CH2:6][C@:18]2([C@H:13]3[C@@H:14]([C@@:19]4([OH:23])[C@@H:10]5[C@H:9]([C:7](=[CH2:2])[CH3:3])[C@H:11]([C@@H:12]([OH:20])[C@@:17]24[CH3:4])[O:24][C:16]5=[O:22])[O:25]3)[O:26][C:15]1=[O:21] |
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