flavaspidic acid AB

Properties Image MNX_ID MNXM105152 reference chebi:65897 formula C22H26O8 global charge 0 mol weight 418.442 InChIKey XRWVZSPWRNDJNS-UHFFFAOYSA-N InChI InChI=1S/C22H26O8/c1-6-7-13(24)15-17(26)9(2)16(25)11(18(15)27)8-12-19(28)14(10(3)23)21(30)22(4,5)20(12)29/h25-27,29-30H,6-8H2,1-5H3 SMILES CCCC(=O)C1=C(O)C(C)=C(O)C(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)=C1O MNX internals InChI (mnx) InChI=1/C22H26O8/c1-6-7-13(24)15-17(26)9(2)16(25)11(18(15)27)8-12-19(28)14(10(3)23)21(30)22(4,5)20(12)29/h25-27,29-30H,6-8H2,1-5H3 SMILES (mnx) [CH3:1][CH2:6][CH2:7][C:13]([C:15]1=[C:17]([OH:26])[C:9]([CH3:2])=[C:16]([OH:25])[C:11]([CH2:8][C:12]2=[C:20]([OH:29])[C:22]([CH3:4])([CH3:5])[C:21]([OH:30])=[C:14]([C:10]([CH3:3])=[O:23])[C:19]2=[O:28])=[C:18]1[OH:27])=[O:24]

Parent-child relations graph

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