(Q72489651)

English

1-Methoxycyclohexene

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

112.088815004 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₇H₁₂O

0 references

canonical SMILES

COC1=CCCCC1

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found in taxon

Foeniculum vulgare

1 reference

stated in

Antimycobacterial activity of constituents from Foeniculum vulgare var. dulce grown in Mexico.

Identifiers

InChI

InChI=1S/C7H12O/c1-8-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3

0 references

InChIKey

HZFQGYWRFABYSR-UHFFFAOYSA-N

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0 references

1 reference

matched by identifier from

InChIKey

HZFQGYWRFABYSR-UHFFFAOYSA-N

ChEBI ID

230282

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C7H12O/c1-8-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3

SureChEMBL ID

SCHEMBL46404

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HZFQGYWRFABYSR-UHFFFAOYSA-N

1 reference

NMRShiftDB structure ID

10015838

1 reference

matched by identifier from

InChIKey

HZFQGYWRFABYSR-UHFFFAOYSA-N

DSSTox substance ID

DTXSID70239269

1 reference

matched by identifier from

InChIKey

HZFQGYWRFABYSR-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID40161760

0 references

EC number

695-326-9

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.223.898

retrieved

29 December 2019

title

[No public or meaningful name is available] (English)

quotation

CAS no.: 931-57-7 (English)

ECHA Substance Infocard ID

100.223.898

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.223.898

retrieved

29 December 2019

title

[No public or meaningful name is available] (English)

quotation

CAS no.: 931-57-7 (English)

Human Metabolome Database ID

HMDB0303845

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HZFQGYWRFABYSR-UHFFFAOYSA-N

(Q72489651)

1-Methoxycyclohexene

Statements

Identifiers

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