compound 0056435

Properties Image MNX_ID MNXM1170970 reference envipathM:...a8422824988c formula C15H18O7 global charge 0 mol weight 310.302 InChIKey XIFCSNWBDLIQDT-WBGBGRJVSA-N InChI InChI=1S/C15H18O7/c1-7-3-9(18)14(5-16,12(21)10(7)19)13(2)4-8(17)11(20)15(13)6-22-15/h3,8-9,16-18H,4-6H2,1-2H3/t8-,9-,13-,14-,15+/m1/s1 SMILES CC1=C[C@@H](O)[C@@](CO)([C@@]2(C)C[C@@H](O)C(=O)[C@@]23CO3)C(=O)C1=O MNX internals InChI (mnx) InChI=1/C15H18O7/c1-7-3-9(18)14(5-16,12(21)10(7)19)13(2)4-8(17)11(20)15(13)6-22-15/h3,8-9,16-18H,4-6H2,1-2H3/t8-,9-,13-,14-,15+/m1/s1 SMILES (mnx) [CH3:1][C:7]1=[CH:3][C@@H:9]([OH:18])[C@@:14]([CH2:5][OH:16])([C@@:13]2([CH3:2])[CH2:4][C@@H:8]([OH:17])[C:11](=[O:20])[C@@:15]23[CH2:6][O:22]3)[C:12](=[O:21])[C:10]1=[O:19]

Parent-child relations graph

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