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Crotarin

PropertiesImage
MNX_IDMNXM47823 Image of MNXM47823
referencelipidmapsM:LMPK12050280
formulaC20H16O6
global charge0
mol weight352.342
InChIKeyYAWLWHBWDHQRRT-UHFFFAOYSA-N
InChIInChI=1S/C20H16O6/c1-9(2)16-7-12-14(22)4-3-11(20(12)26-16)13-8-25-17-6-10(21)5-15(23)18(17)19(13)24/h3-6,8,16,21-23H,1,7H2,2H3
SMILESC=C(C)C1CC2=C(O)C=CC(C3=COC4=CC(O)=CC(O)=C4C3=O)=C2O1
MNX internals
InChI (mnx)InChI=1/C20H16O6/c1-9(2)16-7-12-14(22)4-3-11(20(12)26-16)13-8-25-17-6-10(21)5-15(23)18(17)19(13)24/h3-6,8,16,21-23H,1,7H2,2H3/t16? Image of MNXM47823
SMILES (mnx)[CH2:1]=[C:9]([CH3:2])[CH:16]1[CH2:7][C:12]2=[C:14]([OH:22])[CH:4]=[CH:3][C:11]([C:13]3=[CH:8][O:25][C:17]4=[CH:6][C:10]([OH:21])=[CH:5][C:15]([OH:23])=[C:18]4[C:19]3=[O:24])=[C:20]2[O:26]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:LMPK12050280
lipidmapsM:LMPK12050280
YAWLWHBWDHQRRT-UHFFFAOYSA-N 		Crotarin