8-O-methyl-13-carboxynorjavanicin

Properties Image MNX_ID MNXM163699 reference metacycM:CPD-18190 formula C16H13O8 global charge -1 mol weight 333.272 InChIKey HAWLFWNWPUHWPQ-UHFFFAOYSA-M InChI InChI=1S/C16H14O8/c1-6(17)4-7-10(16(21)22)15(20)11-8(23-2)5-9(24-3)14(19)12(11)13(7)18/h5,19H,4H2,1-3H3,(H,21,22)/p-1 SMILES COC1=CC(OC)=C(O)C2=C1C(=O)C(C(=O)[O-])=C(CC(C)=O)C2=O MNX internals InChI (mnx) InChI=1/C16H14O8/c1-6(17)4-7-10(16(21)22)15(20)11-8(23-2)5-9(24-3)14(19)12(11)13(7)18/h5,19H,4H2,1-3H3,(H,21,22) SMILES (mnx) [CH3:1][C:6]([CH2:4][C:7]1=[C:10]([C:16](=[O:21])[OH:22])[C:15](=[O:20])[C:11]2=[C:12]([C:13]1=[O:18])[C:14]([OH:19])=[C:9]([O:24][CH3:3])[CH:5]=[C:8]2[O:23][CH3:2])=[O:17]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0