(Q82862413)

English

Bicyclo[3.1.0]hexan-2-one, 5-(1-methylethyl)-

chemical compound

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instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

138.104465068 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₉H₁₄O

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canonical SMILES

O=C1CCC2(CC12)C(C)C

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found in taxon

Teucrium polium

1 reference

stated in

Volatile Constituents of Teucrium polium

Artemisia salsoloides

1 reference

stated in

Volatile constituents of the essential oil and of the absolute of artemisia salsoloides Willd. from Ladakh

Cyperus rotundus

1 reference

stated in

Chemical composition, antiproliferative, antioxidant and antibacterial activities of essential oils from aromatic plants growing in Sudan

Tanacetum vulgare

1 reference

stated in

(+)-10 Hydroxy-3-thujone and Other Constituents from Essential Oil ofTanacetum vulgareL. from India

Zanthoxylum simulans

1 reference

stated in

Characteristics of the Steam-Distilled Oil and Carbon Dioxide Extract ofZanthoxylum simulansFruits†

Wild Carrot

1 reference

stated in

Essential-oil composition of Daucus carota ssp. major (Pastinocello Carrot) and nine different commercial varieties of Daucus carota ssp. sativus fruits.

pomelo

1 reference

stated in

Volatile constituents of redblush grapefruit (Citrus paradisi) and pummelo (Citrus grandis) peel essential oils from Kenya

Citrus grandis

1 reference

stated in

Volatile constituents of redblush grapefruit (Citrus paradisi) and pummelo (Citrus grandis) peel essential oils from Kenya

Artemisia annua

1 reference

stated in

GC MS Analysis of the Volatile Constituents of Essential Oil and Aromatic Waters of Artemisia Annua L. at Different Developmental Stages

Ligusticum chuanxiong

1 reference

stated in

Analysis of the volatile compounds in Ligusticum chuanxiong Hort. using HS-SPME-GC-MS.

Conioselinum anthriscoides

1 reference

stated in

Analysis of the volatile compounds in Ligusticum chuanxiong Hort. using HS-SPME-GC-MS.

Ligusticum striatum

1 reference

stated in

Analysis of the volatile compounds in Ligusticum chuanxiong Hort. using HS-SPME-GC-MS.

Identifiers

InChI

InChI=1S/C9H14O/c1-6(2)9-4-3-8(10)7(9)5-9/h6-7H,3-5H2,1-2H3

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InChIKey

MDDYCNAAAZKNAJ-UHFFFAOYSA-N

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CAS Registry Number

513-20-2

1 reference

InChIKey

MDDYCNAAAZKNAJ-UHFFFAOYSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=513-20-2

2 references

26 December 2021

matched by identifier from

InChIKey

MDDYCNAAAZKNAJ-UHFFFAOYSA-N

ChEBI ID

188423

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C9H14O/c1-6(2)9-4-3-8(10)7(9)5-9/h6-7H,3-5H2,1-2H3

1 reference

1 reference

matched by identifier from

InChIKey

MDDYCNAAAZKNAJ-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID901022945

0 references

Human Metabolome Database ID

HMDB0035229

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MDDYCNAAAZKNAJ-UHFFFAOYSA-N

KNApSAcK ID

C00053762

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MDDYCNAAAZKNAJ-UHFFFAOYSA-N

(Q82862413)

Bicyclo[3.1.0]hexan-2-one, 5-(1-methylethyl)-

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