RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0136927
RefMet nameDihydromethanophenazine
Systematic name2-[(6E,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenoxy]-5,10-dihydrophenazine
SynonymsPubChem Synonyms
Exact mass540.407964 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC37H52N2OView other entries in RefMet with this formula
Molecular descriptors
Molfile52543 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C37H52N2O/c1-28(2)13-9-14-29(3)15-10-16-30(4)17-11-18-31(5)19-12-20-32(6)25-26-40-33-23-24-36-37(27-33)39-35-22-8-7-21-34
(35)38-36/h7-8,13,15,17,19,21-24,27,32,38-39H,9-12,14,16,18,20,25-26H2,1-6H3/b29-15+,30-17+,31-19+
InChIKeyLNCNNIYZOUNGMU-QAAQOENVSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC(=CCC/C(=C/CC/C(=C/CC/C(=C/CCC(C)CCOc1ccc2c(c1)[nH]c1ccccc1[nH]2)/C)/C)/C)C
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Chemical/Biochemical Classification
Super ClassAlkaloids
Main ClassAnthranilic acid alkaloids
Sub ClassPhenazine alkaloids
Distribution of Dihydromethanophenazine in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Dihydromethanophenazine
External Links
Pubchem CID5281993
ChEBI ID50375
KEGG IDC11904
MetaCyc IDDIHYDROMETHANOPHENAZINE
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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