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Properties Image MNX_ID MNXM44198 reference chebi:31276 formula C28H37FO7 global charge 0 mol weight 504.595 InChIKey CIWBQSYVNNPZIQ-XYWKZLDCSA-N InChI InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1 SMILES CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C MNX internals InChI (mnx) InChI=1/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1 SMILES (mnx) [CH3:1][CH2:6][C:23](=[O:33])[O:35][CH2:15][C:22]([C@@:28]1([O:36][C:24]([CH2:7][CH3:2])=[O:34])[C@@H:16]([CH3:3])[CH2:12][C@H:20]2[C@@H:19]3[CH2:9][CH2:8][C:17]4=[CH:13][C:18](=[O:30])[CH:10]=[CH:11][C@:25]4([CH3:4])[C@@:27]3([F:29])[C@@H:21]([OH:31])[CH2:14][C@@:26]21[CH3:5])=[O:32]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0