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Batatasin II

PropertiesImage
MNX_IDMNXM119639 Image of MNXM119639
referencechebi:174619
formulaC16H18O4
global charge0
mol weight274.316
InChIKeyCWSITSYPUXRHCS-UHFFFAOYSA-N
InChIInChI=1S/C16H18O4/c1-19-13-10-12(14(17)15(18)16(13)20-2)9-8-11-6-4-3-5-7-11/h3-7,10,17-18H,8-9H2,1-2H3
SMILESCOC1=CC(CCC2=CC=CC=C2)=C(O)C(O)=C1OC
MNX internals
InChI (mnx)InChI=1/C16H18O4/c1-19-13-10-12(14(17)15(18)16(13)20-2)9-8-11-6-4-3-5-7-11/h3-7,10,17-18H,8-9H2,1-2H3 Image of MNXM119639
SMILES (mnx)[CH3:1][O:19][C:13]1=[C:16]([O:20][CH3:2])[C:15]([OH:18])=[C:14]([OH:17])[C:12]([CH2:9][CH2:8][C:11]2=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]2)=[CH:10]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

CHEBI:174619
chebi:174619
CWSITSYPUXRHCS-UHFFFAOYSA-N 		Batatasin II
3,4-dimethoxy-6-(2-phenylethyl)benzene-1,2-diol
hmdb:HMDB0040929
CWSITSYPUXRHCS-UHFFFAOYSA-N 		Batatasin II
1-(2,3-Dihydroxy-4,5-dimethoxyphenyl)-2-phenylethane
2,3-Dihydroxy-4,5-dimethoxybibenzyl
3,4-dimethoxy-6-(2-phenylethyl)benzene-1,2-diol

hmdb:HMDB40929 		secondary/obsolete/fantasy identifier