[(2E,5S,6E,10E)-1,12-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trien-5-yl] acetate (Q105366279)

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chemical compound

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Language	Label	Description	Also known as
English	[(2E,5S,6E,10E)-1,12-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trien-5-yl] acetate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

(1,12-Dihydroxy-3,7,11-trimethyldodeca-2,6,10-trien-5-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

296.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₈O₄

0 references

canonical SMILES

O=C(OC(C=C(C)CCC=C(C)CO)CC(=CCO)C)C

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isomeric SMILES

CC(=O)O[C@H](/C=C(\C)CC/C=C(\C)CO)C/C(C)=C/CO

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found in taxon

Inula salsoloides

1 reference

stated in

Further sesquiterpene lactones from Inula salsoloides

Identifiers

InChI

InChI=1S/C17H28O4/c1-13(6-5-7-15(3)12-19)10-17(21-16(4)20)11-14(2)8-9-18/h7-8,10,17-19H,5-6,9,11-12H2,1-4H3/b13-10+,14-8+,15-7+/t17-/m1/s1

0 references

InChIKey

YVXXFTKPCWYGHH-CYFAXRFGSA-N

0 references

PubChem CID

162849066

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

YVXXFTKPCWYGHH-CYFAXRFGSA-N

 

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