(Q104375947)

English

Anhydrotetrodotoxin

group of stereoisomers with the chemical formula C₁₁H₁₅N₃O₇

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Statements

instance of

group of stereoisomers

0 references

1 reference

301.09099982 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₁H₁₅N₃O₇

0 references

canonical SMILES

N=C1NC2OC3C4(O)OC5C(O)C3(N1)C2C(O4)C5(O)CO

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isomeric SMILES

N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@@]3(N1)[C@H](O)[C@H](O4)[C@]5(O)CO

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found in taxon

Takifugu xanthopterus

1 reference

stated in

Occurrence of tetrodotoxin-related substances in the nontoxic puffer Takifugu xanthopterus.

Alteromonas

1 reference

stated in

Bacterial production of tetrodotoxin and its derivatives

Mangrove horseshoe crab

2 references

stated in

Tetrodotoxin in the horseshoe crab Carcinoscorpius rotundicauda inhabiting Thailand

stated in

Tetrodotoxin in the horseshoe crab Carcinoscorpius rotundicauda inhabiting Thailand

Takifugu pardalis

2 references

stated in

Fluorometric determination of tetrodotoxin by high performance liquid chromatography.

stated in

Tetrodotoxin derivatives in puffer fish

Takifugu poecilonotus

2 references

stated in

Fluorometric determination of tetrodotoxin by high performance liquid chromatography.

stated in

Tetrodotoxin derivatives in puffer fish

Pseudomonas

2 references

stated in

Bacterial production of tetrodotoxin and anhydrotetrodotoxin.

stated in

Bacterial Production of Tetrodotoxin and Anhydrotetrodotoxin

Rapana rapiformis

1 reference

stated in

Occurrence of tetrodotoxin in the gastropodsRapana rapiformis andR. venosa venosa

Veined rapa whelk

1 reference

stated in

Occurrence of tetrodotoxin in the gastropodsRapana rapiformis andR. venosa venosa

Takifugu stictonotus

1 reference

stated in

Fluorometric determination of tetrodotoxin by high performance liquid chromatography.

Identifiers

InChI

InChI=1S/C11H15N3O7/c12-8-13-6-2-4-9(17,1-15)5-3(16)10(2,14-8)7(19-6)11(18,20-4)21-5/h2-7,15-18H,1H2,(H3,12,13,14)/t2?,3-,4?,5+,6?,7+,9+,10-,11+/m1/s1

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InChIKey

STNXQECXKDMLJK-NLWUVLGBSA-N

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CAS Registry Number

13072-89-4

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

26 December 2021

matched by identifier from

InChIKey

STNXQECXKDMLJK-NLWUVLGBSA-N

ChEBI ID

221694

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C11H15N3O7/c12-8-13-6-2-4-9(17,1-15)5-3(16)10(2,14-8)7(19-6)11(18,20-4)21-5/h2-7,15-18H,1H2,(H3,12,13,14)/t2?,3-,4?,5+,6?,7+,9+,10-,11+/m1/s1

1 reference

1 reference

matched by identifier from

InChIKey

STNXQECXKDMLJK-NLWUVLGBSA-N

Natural Product Atlas ID

NPA024769

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

STNXQECXKDMLJK-NLWUVLGBSA-N

(Q104375947)

Anhydrotetrodotoxin

Statements

Identifiers

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