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neobavaisoflavone

PropertiesImage
MNX_IDMNXM107212 Image of MNXM107212
referencechebi:66614
formulaC20H18O4
global charge0
mol weight322.36
InChIKeyOBGPEBYHGIUFBN-UHFFFAOYSA-N
InChIInChI=1S/C20H18O4/c1-12(2)3-4-14-9-13(5-8-18(14)22)17-11-24-19-10-15(21)6-7-16(19)20(17)23/h3,5-11,21-22H,4H2,1-2H3
SMILESCC(C)=CCC1=CC(C2=COC3=CC(O)=CC=C3C2=O)=CC=C1O
MNX internals
InChI (mnx)InChI=1/C20H18O4/c1-12(2)3-4-14-9-13(5-8-18(14)22)17-11-24-19-10-15(21)6-7-16(19)20(17)23/h3,5-11,21-22H,4H2,1-2H3 Image of MNXM107212
SMILES (mnx)[CH3:1][C:12]([CH3:2])=[CH:3][CH2:4][C:14]1=[C:18]([OH:22])[CH:8]=[CH:5][C:13]([C:17]2=[CH:11][O:24][C:19]3=[C:16]([CH:7]=[CH:6][C:15]([OH:21])=[CH:10]3)[C:20]2=[O:23])=[CH:9]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:66614
chebi:66614
OBGPEBYHGIUFBN-UHFFFAOYSA-N 		neobavaisoflavone
7,4'-dihydroxy-3'-(3-methyl-buten-2-yl)isoflavone
7,4'-dihydroxy-3'-(gamma,gamma-dimethylallyl)isoflavone
7-hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-4H-1-benzopyran-4-one
7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one

lipidmaps:LMPK12050027
lipidmapsM:LMPK12050027
OBGPEBYHGIUFBN-UHFFFAOYSA-N 		Neobavaisoflavone
hmdb:HMDB0255518
OBGPEBYHGIUFBN-UHFFFAOYSA-N 		Neobavaisoflavone
7,4'-Dihydroxy-3'-(3-methyl-buten-2-yl)isoflavone
7,4'-Dihydroxy-3'-(g,g-dimethylallyl)isoflavone
7,4'-Dihydroxy-3'-(gamma,gamma-dimethylallyl)isoflavone
7-Hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-4H-1-benzopyran-4-one
7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one
neobavaisoflavone