Search MNXref
 Feedback

Aequinetin

PropertiesImage
MNX_IDMNXM40369 Image of MNXM40369
referencelipidmapsM:LMPK12110147
formulaC21H20O9
global charge0
mol weight416.382
InChIKeyPIJHQWMTZXDYER-QNDFHXLGSA-N
InChIInChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18-,19+,20-,21-/m1/s1
SMILESO=C1C=C(C2=CC=CC=C2)OC2=C1C(O)=CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2
MNX internals
InChI (mnx)InChI=1/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18-,19+,20-,21-/m1/s1 Image of MNXM40369
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:10]([C:14]2=[CH:8][C:13](=[O:24])[C:17]3=[C:12]([OH:23])[CH:6]=[C:11]([O:28][C@H:21]4[C@H:20]([OH:27])[C@@H:19]([OH:26])[C@H:18]([OH:25])[C@@H:16]([CH2:9][OH:22])[O:30]4)[CH:7]=[C:15]3[O:29]2)[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

lipidmaps:LMPK12110147
lipidmapsM:LMPK12110147
PIJHQWMTZXDYER-QNDFHXLGSA-N 		Aequinetin