(Q27157419)

[1S-(1alpha,2beta,4beta,6beta)]-3-(2-Ethenyl-4,6-dimethylcyclohexyl)-1,4-dihydroxy-2(1H)-pyridinone

Pyridoxatin (English)

9 October 2016

1 reference

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₁NO₃

1 reference

Pyridoxatin (English)

9 October 2016

canonical SMILES

CC1CC(C(C(C1)C=C)C2=C(C=CN(C2=O)O)O)C

1 reference

Pyridoxatin (English)

9 October 2016

isomeric SMILES

C[C@H]1C[C@H]([C@@H]([C@H](C1)C=C)C2=C(C=CN(C2=O)O)O)C

1 reference

Isolation and structural elucidation of pyridoxatin, a free radical scavenger of microbial origin

Pyridoxatin (English)

9 October 2016

1 reference

Identifiers

InChI

InChI=1S/C15H21NO3/c1-4-11-8-9(2)7-10(3)13(11)14-12(17)5-6-16(19)15(14)18/h4-6,9-11,13,17,19H,1,7-8H2,2-3H3/t9-,10+,11-,13-/m0/s1

1 reference

Pyridoxatin (English)

OQJADHLOEAOIGC-NOHGZBONSA-N

9 October 2016

InChIKey

2 references

Pyridoxatin (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

pyridoxatin (English)

9 October 2016

1 reference

3-[(1S,2R,4S,6R)-2,4-Dimethyl-6-vinylcyclohexyl]-1,4-dihydroxy-2(1H)-pyridinone (English)

9 October 2016

2 references

Pyridoxatin (English)

matched by identifier from

9 October 2016

InChIKey

OQJADHLOEAOIGC-NOHGZBONSA-N

Reaxys registry number

6336633

1 reference

pyridoxatin (English)

9 October 2016

ChEBI ID

84035

mapping relation type

2 references

pyridoxatin (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C15H21NO3/c1-4-11-8-9(2)7-10(3)13(11)14-12(17)5-6-16(19)15(14)18/h4-6,9-11,13,17,19H,1,7-8H2,2-3H3/t9-,10+,11-,13-/m0/s1

1 reference

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

OQJADHLOEAOIGC-NOHGZBONSA-N

DSSTOX compound identifier

0 references

1 reference

pyridoxatin (English)