Metabolite List

metabolites which its exact mass nearly 168.115 with tolerance error 0.01 da.

(-)-3-exo-Hydroxycamphor (BioCAD00000000002)
Formula: C10H16O2 (Exact Mass: 168.115)

(-)-3-exo-Hydroxycamphor is not a recognized natural metabolite or biologically active compound with established physiological roles. It appears to be a misidentified or synthetic derivative of camphor. The well-documented biological context involves microbial degradation pathways (e.g., in Pseudomonas putida), where camphor is primarily metabolized to 5-hydroxycamphor (not 3-exo-hydroxycamphor) via a specific monooxygenase enzyme. The 3-exo position in camphor is sterically hindered and not a typical site for enzymatic hydroxylation. Thus, (-)-3-exo-hydroxycamphor lacks evidence of natural occurrence, metabolic significance, or defined biological function in living systems. Its mention likely stems from confusion with authentic degradation intermediates or synthetic chemistry contexts.

(Abstract word count: 98)

(+)-6-endo-Hydroxycamphor (BioCAD00000000125)
Formula: C10H16O2 (Exact Mass: 168.115)

A 6-hydroxycamphor that is (+)-camphor bearing a 6-endo-hydroxy substituent." []

(+)-6-exo-Hydroxycamphor (BioCAD00000000126)
Formula: C10H16O2 (Exact Mass: 168.115)

(+)-6-exo-hydroxycamphor is a 6-hydroxycamphor that is (+)-camphor bearing a 6-exo-hydroxy substituent.

(+)-cis,cis-Nepetalactol (BioCAD00000000157)
Formula: C10H16O2 (Exact Mass: 168.115)

(+)-exo-5-Hydroxycamphor (BioCAD00000000176)
Formula: C10H16O2 (Exact Mass: 168.115)

(+)-exo-5-hydroxycamphor

(+)-Iridodial (BioCAD00000000185)
Formula: C10H16O2 (Exact Mass: 168.115)

(+)-Iridodial

plant natural products
(1R,4S)-1-Hydroxy-2-oxolimonene (BioCAD00000000326)
Formula: C10H16O2 (Exact Mass: 168.115)

An optically active form of 1-hydroxylimonen-2-one having (1R,4S)-configuration." []

(1S,4R)-1-Hydroxy-2-oxolimonene (BioCAD00000000352)
Formula: C10H16O2 (Exact Mass: 168.115)

(1S,4R)-1-Hydroxy-2-oxolimonene

(3S,6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone (BioCAD00000000550)
Formula: C10H16O2 (Exact Mass: 168.115)

An optically active form of 6-isopropenyl-3-methyloxepan-2-one having (3S,6S)-configuration." []

(3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone (BioCAD00000000551)
Formula: C10H16O2 (Exact Mass: 168.115)

An optically active form of 6-isopropenyl-3-methyloxepan-2-one having (3S,6R)-configuration." []

(3S)-3-Hydroxycyclocitral (BioCAD00000000564)
Formula: C10H16O2 (Exact Mass: 168.115)

(3s)-3-hydroxycyclocitral, also known as 3beta-hydroxy-beta-cyclocitral, is a member of the class of compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl) (3s)-3-hydroxycyclocitral is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). (3s)-3-hydroxycyclocitral can be found in a number of food items such as garden tomato (variety), malabar plum, lime, and pot marjoram, which makes (3s)-3-hydroxycyclocitral a potential biomarker for the consumption of these food products.

plant natural products
(4R,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone (BioCAD00000000591)
Formula: C10H16O2 (Exact Mass: 168.115)

(4R,7R)-4-isopropenyl-7-methyloxepan-2-one

(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone (BioCAD00000000602)
Formula: C10H16O2 (Exact Mass: 168.115)

(4S,7R)-4-isopropenyl-7-methyloxepan-2-one

(6E)-8-Hydroxygeranial (BioCAD00000000650)
Formula: C10H16O2 (Exact Mass: 168.115)

A monoterpenoid that is geranial bearing a hydroxy substituent at position 8." []

(6E)-8-Oxogeraniol (BioCAD00000000655)
Formula: C10H16O2 (Exact Mass: 168.115)

A monoterpenoid that is geraniol bearing an oxo substituent at position 8." []

plant natural products
(6E)-8-Oxolinalool (BioCAD00000000656)
Formula: C10H16O2 (Exact Mass: 168.115)

A monoterpenoid that is linalool bearing an oxo substituent at position 8." []

(R)-8-Oxocitronellyl enol (BioCAD00000000853)
Formula: C10H16O2 (Exact Mass: 168.115)

An 8-oxocitronellyl enol in which the chiral centre has R configuration." []

(S)-8-Oxocitronellyl enol (BioCAD00000000959)
Formula: C10H16O2 (Exact Mass: 168.115)

An 8-oxocitronellyl enol in which the chiral centre has S configuration." []

TriMM (BioCAD00000186453)
Formula: C6H12N6 (Exact Mass: 168.1123)

blood
Nos (BioCAD00002125378)
Formula: C9H13FN2 (Exact Mass: 168.1063)

plant natural products