(Q27106762)

Glucolimnanthin (English)

5 October 2016

chemical formula

C₁₅H₂₀NO₁₀S₂⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

COC1=CC=CC(=C1)CC(=NOS(=O)(=O)[O-])SC2C(C(C(C(O2)CO)O)O)O

1 reference

Glucolimnanthin (English)

5 October 2016

isomeric SMILES

COC1=CC=CC(=C1)C/C(=N/OS(=O)(=O)[O-])/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

1 reference

Glucolimnanthin (English)

InChI=1S/C15H21NO10S2/c1-24-9-4-2-3-8(5-9)6-11(16-26-28(21,22)23)27-15-14(20)13(19)12(18)10(7-17)25-15/h2-5,10,12-15,17-20H,6-7H2,1H3,(H,21,22,23)/p-1/b16-11-/t10-,12-,13+,14-,15+/m1/s1

5 October 2016

Identifiers

InChI

1 reference

Glucolimnanthin (English)

RYDIUEJGEAUJAI-OOMJLXHVSA-M

5 October 2016

InChIKey

2 references

Glucolimnanthin (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

glucolimnanthin(1-) (English)

5 October 2016

2 references

Glucolimnanthin (English)

matched by identifier from

5 October 2016

InChIKey

RYDIUEJGEAUJAI-OOMJLXHVSA-M

Reaxys registry number

4044035

1 reference

glucolimnanthin(1-) (English)

5 October 2016

ChEBI ID

5409

mapping relation type

2 references

glucolimnanthin(1-) (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C15H21NO10S2/c1-24-9-4-2-3-8(5-9)6-11(16-26-28(21,22)23)27-15-14(20)13(19)12(18)10(7-17)25-15/h2-5,10,12-15,17-20H,6-7H2,1H3,(H,21,22,23)/p-1/b16-11-/t10-,12-,13+,14-,15+/m1/s1

1 reference

0 references

DSSTOX compound identifier

DTXCID001349481

0 references

KNApSAcK ID

C00001475

reason for deprecated rank

cannot be confirmed by other sources

1 reference

glucolimnanthin(1-) (English)

5 October 2016

1 reference

glucolimnanthin(1-) (English)