(Q105297911)

English

[(11S,16R)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[(9Z)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

332.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(9E,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate

1 reference

based on heuristic

inferred from InChI

[(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate

1 reference

based on heuristic

inferred from InChI

[(11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate

1 reference

based on heuristic

inferred from InChI

1-Acetoxy-9,17-octadecadiene-12,14-diyne-11,16-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₄

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canonical SMILES

O=C(OCCCCCCCCC=CC(O)C#CC#CC(O)C=C)C

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isomeric SMILES

C=C[C@@H](O)C#CC#C[C@@H](O)C=CCCCCCCCCOC(C)=O

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found in taxon

Ashitaba

1 reference

stated in

Chalcones and other compounds from the exudates of Angelica keiskei and their cancer chemopreventive effects

Identifiers

InChI

InChI=1S/C20H28O4/c1-3-19(22)14-11-12-16-20(23)15-10-8-6-4-5-7-9-13-17-24-18(2)21/h3,10,15,19-20,22-23H,1,4-9,13,17H2,2H3/t19-,20+/m1/s1

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InChIKey

VVURZXYIXNNJCG-UXHICEINSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VVURZXYIXNNJCG-UXHICEINSA-N

1 reference

(Q105297911)

[(11S,16R)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate

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Identifiers

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