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5-methoxy-2-methyl-3-(all-trans-heptaprenyl)benzene-1,4-diol

PropertiesImage
MNX_IDMNXM10365 Image of MNXM10365
referencechebi:84530
formulaC43H66O3
global charge0
mol weight630.998
InChIKeyROHKDMWQXDHLDY-HOHOQCMASA-N
InChIInChI=1S/C43H66O3/c1-32(2)17-11-18-33(3)19-12-20-34(4)21-13-22-35(5)23-14-24-36(6)25-15-26-37(7)27-16-28-38(8)29-30-40-39(9)41(44)31-42(46-10)43(40)45/h17,19,21,23,25,27,29,31,44-45H,11-16,18,20,22,24,26,28,30H2,1-10H3/b33-19+,34-21+,35-23+,36-25+,37-27+,38-29+
SMILESCOC1=C(O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C43H66O3/c1-32(2)17-11-18-33(3)19-12-20-34(4)21-13-22-35(5)23-14-24-36(6)25-15-26-37(7)27-16-28-38(8)29-30-40-39(9)41(44)31-42(46-10)43(40)45/h17,19,21,23,25,27,29,31,44-45H,11-16,18,20,22,24,26,28,30H2,1-10H3/b33-19+,34-21+,35-23+,36-25+,37-27+,38-29+ Image of MNXM10365
SMILES (mnx)[CH3:1][C:32]([CH3:2])=[CH:17][CH2:11][CH2:18]/[C:33]([CH3:3])=[CH:19]/[CH2:12][CH2:20]/[C:34]([CH3:4])=[CH:21]/[CH2:13][CH2:22]/[C:35]([CH3:5])=[CH:23]/[CH2:14][CH2:24]/[C:36]([CH3:6])=[CH:25]/[CH2:15][CH2:26]/[C:37]([CH3:7])=[CH:27]/[CH2:16][CH2:28]/[C:38]([CH3:8])=[CH:29]/[CH2:30][C:40]1=[C:39]([CH3:9])[C:41]([OH:44])=[CH:31][C:42]([O:46][CH3:10])=[C:43]1[OH:45]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84530
chebi:84530
ROHKDMWQXDHLDY-HOHOQCMASA-N 		5-methoxy-2-methyl-3-(all-trans-heptaprenyl)benzene-1,4-diol
2-methoxy-3-methyl-6-all-trans-heptaprenyl-1,4-benzoquinol
2-methoxy-3-methyl-6-all-trans-heptaprenylhydroquinone
3-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-5-methoxy-2-methylbenzene-1,4-diol
6-methoxy-3-methyl-2-all-trans-heptaprenylhydroquinone
6-methoxy-3-methyl-2-heptaprenyl-1,4-benzoquinol

metacyc.compound:CPD-9859
metacycM:CPD-9859
seed.compound:cpd25877
seedM:cpd25877
ROHKDMWQXDHLDY-HOHOQCMASA-N 		6-methoxy-3-methyl-2-all-trans-heptaprenyl-1,4-benzoquinol
6-methoxy-3-methyl-2-heptaprenyl-1,4-benzoquinol

seedM:M_cpd25877 		secondary/obsolete/fantasy identifier