(Q76805952)

English

(E)-1-(3,4-dimethoxyphenyl)dodec-4-en-3-one

chemical compound

In more languages

Statements

type of chemical entity

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biogenic alkylphenol

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318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₃

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canonical SMILES

O=C(C=CCCCCCCC)CCC1=CC=C(OC)C(OC)=C1

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isomeric SMILES

CCCCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)OC)OC

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Zingiber officinale

1 reference

Fresh organically grown ginger (Zingiber officinale): composition and effects on LPS-induced PGE2 production.

Identifiers

InChI=1S/C20H30O3/c1-4-5-6-7-8-9-10-11-18(21)14-12-17-13-15-19(22-2)20(16-17)23-3/h10-11,13,15-16H,4-9,12,14H2,1-3H3/b11-10+

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ZNOLGYFCFIVHQI-ZHACJKMWSA-N

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CAS Registry Number

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

matched by identifier from

ZNOLGYFCFIVHQI-ZHACJKMWSA-N

mapping relation type

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ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C20H30O3/c1-4-5-6-7-8-9-10-11-18(21)14-12-17-13-15-19(22-2)20(16-17)23-3/h10-11,13,15-16H,4-9,12,14H2,1-3H3/b11-10+

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID201255456

1 reference

matched by identifier from

ZNOLGYFCFIVHQI-ZHACJKMWSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

ZNOLGYFCFIVHQI-ZHACJKMWSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

ZNOLGYFCFIVHQI-ZHACJKMWSA-N

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