(Q77490292)

English

Beta-Ionone epoxide

(5R, 6S)-5, 6-Epoxy-7-megastigmen-9-one is found in garden tomato. (5R, 6S)-5, 6-Epoxy-7-megastigmen-9-one is a constituent of tomatoes and carrots.

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instance of

type of chemical entity

0 references

subclass of

megastigmane

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mass

208.14632988 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₃H₂₀O₂

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canonical SMILES

O=C(C=CC12OC2(C)CCCC1(C)C)C

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isomeric SMILES

CC(=O)/C=C/C12OC1(C)CCCC2(C)C

1 reference

1 reference

Volatile Organic Compounds from Arctic Bacteria of theCytophaga-Flavobacterium-Bacteroides Group: A Retrobiosynthetic Approach in Chemotaxonomic Investigations

Ceratophyllum demersum

1 reference

stated in

Chemical composition of essential oils of two submerged macrophytes,Ceratophyllum demersum L. andVallisneria spiralis L.

tomato

1 reference

stated in

Determination of Volatile Organic Compounds in Andean Tomato Landraces by Headspace Solid Phase Microextraction-Gas Chromatography-Mass Spectrometry

Camellia sinensis

1 reference

stated in

Metabolite profiling of Camellia sinensis by automated sequential, multidimensional gas chromatography/mass spectrometry reveals strong monsoon effects on tea constituents

Nicotiana tabacum

1 reference

stated in

Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves

Identifiers

InChI

InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3/b9-6+

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InChIKey

ZTJZJYUGOJYHCU-RMKNXTFCSA-N

2 references

language of work or name

English

stated in

Natural Product Atlas

PubChem CID

5352481

language of work or name

2 references

language of work or name

English

matched by identifier from

InChIKey

ZTJZJYUGOJYHCU-RMKNXTFCSA-N

ChEBI ID

208937

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3/b9-6+

1 reference

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP005791

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DSSTox substance ID

DTXSID301355803

1 reference

matched by identifier from

InChIKey

ZTJZJYUGOJYHCU-RMKNXTFCSA-N

Human Metabolome Database ID

HMDB0034984

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZTJZJYUGOJYHCU-RMKNXTFCSA-N

KNApSAcK ID

C00060958

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZTJZJYUGOJYHCU-RMKNXTFCSA-N

C00061613

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZTJZJYUGOJYHCU-RMKNXTFCSA-N

Natural Product Atlas ID

NPA009486

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZTJZJYUGOJYHCU-RMKNXTFCSA-N

(Q77490292)

Beta-Ionone epoxide

Statements

Identifiers

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