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3-Hexaprenyl-4-hydroxybenzoate

MNXM91406 is deprecated and here replaced by MNXM1371537
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371537 Image of MNXM1371537
referencekeggC:C13425
formulaC37H54O3
global charge0
mol weight546.836
InChIKeyLKMQQQABIGIHGL-LAAQXVIISA-N
InChIInChI=1S/C37H54O3/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27,38H,8-12,14,16,18,20,22,24H2,1-7H3,(H,39,40)/b29-15+,30-17+,31-19+,32-21+,33-23+
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(O)C=CC(C(=O)O)=C1
MNX internals
InChI (mnx)InChI=1/C37H54O3/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27,38H,8-12,14,16,18,20,22,24H2,1-7H3,(H,39,40)/b29-15+,30-17+,31-19+,32-21+,33-23+ Image of MNXM1371537
SMILES (mnx)[CH3:1][C:28]([CH3:2])=[CH:13][CH2:8][CH2:14]/[C:29]([CH3:3])=[CH:15]/[CH2:9][CH2:16]/[C:30]([CH3:4])=[CH:17]/[CH2:10][CH2:18]/[C:31]([CH3:5])=[CH:19]/[CH2:11][CH2:20]/[C:32]([CH3:6])=[CH:21]/[CH2:12][CH2:22]/[C:33]([CH3:7])=[CH:23]/[CH2:24][C:34]1=[C:36]([OH:38])[CH:26]=[CH:25][C:35]([C:37]([OH:39])=[O:40])=[CH:27]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

kegg.compound:C13425
keggC:C13425
LKMQQQABIGIHGL-LAAQXVIISA-N 		3-Hexaprenyl-4-hydroxybenzoate
3-Hexaprenyl-4-hydroxybenzoic acid

keggC:M_C13425 		secondary/obsolete/fantasy identifier