(Q82229076)

English

7-[(E)-7-hydroxy-3,7-dimethyl-6-oxooct-2-enoxy]chromen-2-one

chemical compound

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Statements

type of chemical entity

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2,6-dimethyloctane monoterpenoid

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biogenic coumarin

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330.146723804 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₂O₅

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canonical SMILES

O=C1OC=2C=C(OCC=C(C)CCC(=O)C(O)(C)C)C=CC2C=C1

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isomeric SMILES

C/C(=C\COC1=CC2=C(C=C1)C=CC(=O)O2)/CCC(=O)C(C)(C)O

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Geijera parviflora

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Extractives of Geijera parviflora

Identifiers

InChI=1S/C19H22O5/c1-13(4-8-17(20)19(2,3)22)10-11-23-15-7-5-14-6-9-18(21)24-16(14)12-15/h5-7,9-10,12,22H,4,8,11H2,1-3H3/b13-10+

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YSRYKTUWDVLRLA-JLHYYAGUSA-N

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CAS Registry Number

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UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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