3-demethylubiquinone-6

Chemical Formula:

C₃₈H₅₆O₄

Molecular Weight:

576.84884 Daltons

Monoisotopic Mass:

576.41786 Daltons

SMILES:

COC1=C(O)C(=O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O

InChI:

1S/C38H56O4/c1-27(2)15-10-16-28(3)17-11-18-29(4)19-12-20-30(5)21-13-22-31(6)23-14-24-32(7)25-26-34-33(8)35(39)37(41)38(42-9)36(34)40/h15,17,19,21,23,25,41H,10-14,16,18,20,22,24,26H2,1-9H3/b28-17+,29-19+,30-21+,31-23+,32-25+

InChIKey:

YPBJTTYNKXYYKL-HGJBZHBGSA-N

Synonyms

2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone
2-hexaprenyl-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinone

Databases

KEGG: C05805

ChEBI: 28753

PupChem (SID): 8100

3DMET: B00847

NIKKAJI: J2.068.755J