| Properties | Image |
|---|
| MNX_ID | MNXM1194470 |
 |
| reference | envipathM:...c83c7652b504 |
| formula | C22H31FO7 |
| global charge | 0 |
| mol weight | 426.481 |
| InChIKey | MRQCIVJSHSCJPQ-QKARIGRASA-N |
| InChI | InChI=1S/C22H31FO7/c1-18-9-16(27)21(23)13(5-4-11-6-12(25)7-15(26)20(11,21)3)14(18)8-19(2,29)22(18,30)17(28)10-24/h6,13-16,24,26-27,29-30H,4-5,7-10H2,1-3H3/t13?,14?,15?,16?,18-,19?,20+,21-,22-/m0/s1 |
| SMILES | CC1(O)CC2C3CCC4=CC(=O)CC(O)[C@]4(C)[C@@]3(F)C(O)C[C@]2(C)[C@@]1(O)C(=O)CO |
MNX internals
| InChI (mnx) | InChI=1/C22H31FO7/c1-18-9-16(27)21(23)13(5-4-11-6-12(25)7-15(26)20(11,21)3)14(18)8-19(2,29)22(18,30)17(28)10-24/h6,13-16,24,26-27,29-30H,4-5,7-10H2,1-3H3/t13?,14?,15?,16?,18-,19?,20+,21-,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:18]12[CH2:9][CH:16]([OH:27])[C@@:21]3([F:23])[CH:13]([CH2:5][CH2:4][C:11]4=[CH:6][C:12](=[O:25])[CH2:7][CH:15]([OH:26])[C@@:20]43[CH3:3])[CH:14]1[CH2:8][C:19]([CH3:2])([OH:29])[C@@:22]2([C:17]([CH2:10][OH:24])=[O:28])[OH:30] |
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