3,5-dioxo-6-[4,5,7-trihydroxy-3-(3-oxobutanoyl)naphthalen-2-yl]hexanoate

Properties Image MNX_ID MNXM147762 reference metacycM:CPD-16647 formula C20H17O9 global charge -1 mol weight 401.347 InChIKey KQWNMCHCVXVLRS-UHFFFAOYSA-M InChI InChI=1S/C20H18O9/c1-9(21)2-15(25)18-10(4-12(22)6-14(24)8-17(27)28)3-11-5-13(23)7-16(26)19(11)20(18)29/h3,5,7,23,26,29H,2,4,6,8H2,1H3,(H,27,28)/p-1 SMILES CC(=O)CC(=O)C1=C(CC(=O)CC(=O)CC(=O)[O-])C=C2C=C(O)C=C(O)C2=C1O MNX internals InChI (mnx) InChI=1/C20H18O9/c1-9(21)2-15(25)18-10(4-12(22)6-14(24)8-17(27)28)3-11-5-13(23)7-16(26)19(11)20(18)29/h3,5,7,23,26,29H,2,4,6,8H2,1H3,(H,27,28) SMILES (mnx) [CH3:1][C:9]([CH2:2][C:15]([C:18]1=[C:20]([OH:29])[C:19]2=[C:16]([OH:26])[CH:7]=[C:13]([OH:23])[CH:5]=[C:11]2[CH:3]=[C:10]1[CH2:4][C:12]([CH2:6][C:14]([CH2:8][C:17](=[O:27])[OH:28])=[O:24])=[O:22])=[O:25])=[O:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0