Menthol-glucoronide (Q27161818)

(6S)-2,6-Anhydro-6-[(1S)-2-isopropyl-5-methylcyclohexyl]-L-gulonic acid (English)

9 October 2016

chemical formula

C₁₆H₂₈O₆

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)C1(CCC(C)(CC1(C2(C(C(C(C(C(=O)O)(O2)[H])(O)[H])(O)[H])(O)[H])[H])[H])[H])[H]

1 reference

Menthol-glucoronide (English)

9 October 2016

isomeric SMILES

CC(C)C1(CCC(C)(CC1([C@]2([C@@]([C@]([C@@]([C@@](C(=O)O)(O2)[H])(O)[H])(O)[H])(O)[H])[H])[H])[H])[H]

1 reference

Menthol-glucoronide (English)

InChI=1S/C16H28O6/c1-7(2)9-5-4-8(3)6-10(9)14-12(18)11(17)13(19)15(22-14)16(20)21/h7-15,17-19H,4-6H2,1-3H3,(H,20,21)/t8?,9?,10?,11-,12-,13+,14+,15+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

Menthol-glucoronide (English)

JOHLBVHVVBAEGN-GEPIISMBSA-N

9 October 2016

InChIKey

2 references

Menthol-glucoronide (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

matched by identifier from

(6S)-2,6-Anhydro-6-[(1S)-2-isopropyl-5-methylcyclohexyl]-L-gulonic acid (English)

9 October 2016

2 references

26 December 2021

InChIKey

JOHLBVHVVBAEGN-GEPIISMBSA-N

ChEBI ID

89620

mapping relation type

2 references

Menthol-glucoronide (English)