(Q104397262)

English

Chaetantherol

group of stereoisomers with the chemical formula C₁₃H₁₄O₂S

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Statements

group of stereoisomers

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chemical compound

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234.071450688 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₃H₁₄O₂S

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canonical SMILES

OC1COC(C=CC#CC=2SC=CC2)CC1

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isomeric SMILES

O[C@@H]1CCC(/C=C/C#Cc2cccs2)OC1

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Chaetanthera chilensis

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Highly oxygenated sesquiterpenes from Polyachyrus sphaerocephalus and further constituents from chilean mutisieae

Identifiers

InChI=1S/C13H14O2S/c14-11-7-8-12(15-10-11)4-1-2-5-13-6-3-9-16-13/h1,3-4,6,9,11-12,14H,7-8,10H2/b4-1+/t11-,12?/m1/s1

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QYGKLTYSOQEEBP-LHHLUADNSA-N

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1 reference

26 December 2021

UniChem compound ID

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