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Neogrifolin

PropertiesImage
MNX_IDMNXM128642 Image of MNXM128642
referencechebi:170126
formulaC22H32O2
global charge0
mol weight328.496
InChIKeyJWDIUXFSIWOGDP-VZRGJMDUSA-N
InChIInChI=1S/C22H32O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-21-19(5)14-20(23)15-22(21)24/h8,10,12,14-15,23-24H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=C(C)C=C(O)C=C1O
MNX internals
InChI (mnx)InChI=1/C22H32O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-21-19(5)14-20(23)15-22(21)24/h8,10,12,14-15,23-24H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+ Image of MNXM128642
SMILES (mnx)[CH3:1][C:16]([CH3:2])=[CH:8][CH2:6][CH2:9]/[C:17]([CH3:3])=[CH:10]/[CH2:7][CH2:11]/[C:18]([CH3:4])=[CH:12]/[CH2:13][C:21]1=[C:22]([OH:24])[CH:15]=[C:20]([OH:23])[CH:14]=[C:19]1[CH3:5]
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:170126
chebi:170126
JWDIUXFSIWOGDP-VZRGJMDUSA-N 		Neogrifolin
5-methyl-4-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol
5-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene-1,3-diol
hmdb:HMDB0030053
JWDIUXFSIWOGDP-VZRGJMDUSA-N 		Neogrifolin
4-Farnesyl-5-methylresorcinol
4-trans,trans-Farnesyl-5-methylresorcinol
5-Methyl-6-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,3-benzenediol
5-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzene-1,3-diol
e,e,5-Methyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,3-benzenediol

hmdb:HMDB30053 		secondary/obsolete/fantasy identifier