(Q115951805)

English

2-(2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl)acetic acid

group of stereoisomers with the chemical formula C₁₄H₁₆O₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

232.109944372 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₄H₁₆O₃

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canonical SMILES

O=C(O)CC1=C(C=C2C(C(=O)C(C)C2)=C1C)C

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found in taxon

Pteridium aquilinum

2 references

stated in

Chemical and toxicological studies on bracken fern, Pteridium aquilinum var. latiusculum. I. Introduction, extraction and fractionation of constituents, and toxicological studies including carcinogenicity tests

stated in

1-Indanone Derivatives from Bracken, <I>Pteridium aquilinum</I> var. <I>latiusculum</I>

Identifiers

InChI

InChI=1S/C14H16O3/c1-7-4-10-5-8(2)14(17)13(10)9(3)11(7)6-12(15)16/h4,8H,5-6H2,1-3H3,(H,15,16)

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InChIKey

UYEZJDNVWNIIKS-UHFFFAOYSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

UYEZJDNVWNIIKS-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0036605

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

UYEZJDNVWNIIKS-UHFFFAOYSA-N

(Q115951805)

2-(2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl)acetic acid

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Identifiers

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