scutellarin

Properties Image MNX_ID MNXM7763 reference chebi:61284 formula C21H17O12 global charge -1 mol weight 461.355 InChIKey DJSISFGPUUYILV-ZFORQUDYSA-M InChI InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/p-1/t16-,17-,18+,19-,21+/m0/s1 SMILES O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=C(O)C(O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)=C2 MNX internals InChI (mnx) InChI=1/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1 SMILES (mnx) [CH:1]1=[CH:3][C:8]([OH:22])=[CH:4][CH:2]=[C:7]1[C:10]1=[CH:5][C:9](=[O:23])[C:13]2=[C:11]([CH:6]=[C:12]([O:32][C@H:21]3[C@H:18]([OH:28])[C@@H:16]([OH:26])[C@H:17]([OH:27])[C@@H:19]([C:20](=[O:29])[OH:30])[O:33]3)[C:14]([OH:24])=[C:15]2[OH:25])[O:31]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0