MISEROTOXIN

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C9H17NO8
Molecular Weight	267.2332
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MISEROTOXIN

Structure Search

SMILES

OC[C@H]1O[C@@H](OCCC[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=JDJSHLXEHWCLEP-SYHAXYEDSA-N

InChI=1S/C9H17NO8/c11-4-5-6(12)7(13)8(14)9(18-5)17-3-1-2-10(15)16/h5-9,11-14H,1-4H2/t5-,6-,7+,8-,9-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C9H17NO8
Molecular Weight	267.2332
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:04:29 GMT 2025` Edited by `admin` on `Mon Mar 31 19:04:29 GMT 2025`
Record UNII	0J55BW984L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MISEROTOXIN

Common Name

English

.BETA.-D-GLUCOPYRANOSIDE, 3-NITROPROPYL

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID50947395

Created by admin on Mon Mar 31 19:04:29 GMT 2025 , Edited by admin on Mon Mar 31 19:04:29 GMT 2025

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FDA UNII

0J55BW984L

Created by admin on Mon Mar 31 19:04:29 GMT 2025 , Edited by admin on Mon Mar 31 19:04:29 GMT 2025

PRIMARY

CHEBI

6951

Created by admin on Mon Mar 31 19:04:29 GMT 2025 , Edited by admin on Mon Mar 31 19:04:29 GMT 2025

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PUBCHEM

107795

Created by admin on Mon Mar 31 19:04:29 GMT 2025 , Edited by admin on Mon Mar 31 19:04:29 GMT 2025

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CAS

24502-76-9

Created by admin on Mon Mar 31 19:04:29 GMT 2025 , Edited by admin on Mon Mar 31 19:04:29 GMT 2025

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