SIMMONDSIN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H25NO9
Molecular Weight	375.371
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of SIMMONDSIN

Structure Search

SMILES

CO[C@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\C(=C/C#N)[C@H](O)[C@H]1OC

InChI

InChIKey=KURSRHBVYUACKS-XGYNEUJOSA-N

InChI=1S/C16H25NO9/c1-23-9-5-8(7(3-4-17)11(19)15(9)24-2)25-16-14(22)13(21)12(20)10(6-18)26-16/h3,8-16,18-22H,5-6H2,1-2H3/b7-3+/t8-,9+,10-,11+,12-,13+,14-,15+,16-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

ACETONITRILE, 2-((2S,3R,4S,6R)-6-(.BETA.-D-GLUCOPYRANOSYLOXY)-2-HYDROXY-3,4-DIMETHOXYCYCLOHEXYLIDENE)-, (2Z)-

Preferred Name

English

SIMMONDSIN

Common Name

English

Code System Code Type Description

FDA UNII

O51H15R39K

Created by admin on Mon Mar 31 19:13:28 GMT 2025 , Edited by admin on Mon Mar 31 19:13:28 GMT 2025

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WIKIPEDIA

SIMMONDSIN

Created by admin on Mon Mar 31 19:13:28 GMT 2025 , Edited by admin on Mon Mar 31 19:13:28 GMT 2025

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PUBCHEM

6437384

Created by admin on Mon Mar 31 19:13:28 GMT 2025 , Edited by admin on Mon Mar 31 19:13:28 GMT 2025

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CAS

51771-52-9

Created by admin on Mon Mar 31 19:13:28 GMT 2025 , Edited by admin on Mon Mar 31 19:13:28 GMT 2025

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DAILYMED

O51H15R39K

Created by admin on Mon Mar 31 19:13:28 GMT 2025 , Edited by admin on Mon Mar 31 19:13:28 GMT 2025

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EPA CompTox

DTXSID901027519

Created by admin on Mon Mar 31 19:13:28 GMT 2025 , Edited by admin on Mon Mar 31 19:13:28 GMT 2025

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ACTIVE MOIETY


					O51H15R39K