trans-Grandmarin

Properties Image MNX_ID MNXM144965 reference chebi:168055 formula C15H16O6 global charge 0 mol weight 292.287 InChIKey RRUHFAXVNXSPNG-UHFFFAOYSA-N InChI InChI=1S/C15H16O6/c1-15(2)14(18)12(17)11-9(21-15)6-8(19-3)7-4-5-10(16)20-13(7)11/h4-6,12,14,17-18H,1-3H3 SMILES COC1=CC2=C(C3=C1C=CC(=O)O3)C(O)C(O)C(C)(C)O2 MNX internals InChI (mnx) InChI=1/C15H16O6/c1-15(2)14(18)12(17)11-9(21-15)6-8(19-3)7-4-5-10(16)20-13(7)11/h4-6,12,14,17-18H,1-3H3/t12?,14? SMILES (mnx) [CH3:1][C:15]1([CH3:2])[CH:14]([OH:18])[CH:12]([OH:17])[C:11]2=[C:13]3[C:7](=[C:8]([O:19][CH3:3])[CH:6]=[C:9]2[O:21]1)[CH:4]=[CH:5][C:10](=[O:16])[O:20]3

Parent-child relations graph

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