(Q82224773)

English

5-(1,3-benzodioxol-5-yl)pentanoic acid

chemical compound

In more languages

default for all languages

No label defined

No description defined

Statements

type of chemical entity

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chemical compound

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222.089208928 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₂H₁₄O₄

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canonical SMILES

C1OC2=C(O1)C=C(C=C2)CCCCC(=O)O

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Peperomia heyneana

1 reference

Bioactive polyketides from Peperomia duclouxii.

Identifiers

InChI=1S/C12H14O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h5-7H,1-4,8H2,(H,13,14)

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VSLFLWQBWGEPBW-UHFFFAOYSA-N

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CAS Registry Number

1 reference

CAS Common Chemistry

6 April 2021

https://commonchemistry.cas.org/detail?cas_rn=41917-45-7

VSLFLWQBWGEPBW-UHFFFAOYSA-N

1 reference

matched by identifier from

VSLFLWQBWGEPBW-UHFFFAOYSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C12H14O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h5-7H,1-4,8H2,(H,13,14)

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

VSLFLWQBWGEPBW-UHFFFAOYSA-N

DSSTOX compound identifier

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Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

VSLFLWQBWGEPBW-UHFFFAOYSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

VSLFLWQBWGEPBW-UHFFFAOYSA-N

1 reference

matched by identifier from

VSLFLWQBWGEPBW-UHFFFAOYSA-N

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