(Q105312762)

English

(5S)-2-[(E)-2,4-Hexadiyne-1-ylidene]-1,6-dioxaspiro[4.4]nonane-3-ene

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

200.083729624 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5R)-2-[(E)-2,4-Hexadiyne-1-ylidene]-1,6-dioxaspiro[4.4]nona-3-ene

1 reference

based on heuristic

inferred from InChI

(5R)-2-[(1Z)-2,4-Hexadiyne-1-ylidene]-1,6-dioxaspiro[4.4]nonane-3-ene

1 reference

based on heuristic

inferred from InChI

(5S)-2-[(Z)-2,4-Hexadiyne-1-ylidene]-1,6-dioxaspiro[4.4]nonane-3-ene

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₃H₁₂O₂

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canonical SMILES

C(C#CC)#CC=C1OC2(OCCC2)C=C1

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isomeric SMILES

CC#CC#C/C=C1\C=C[C@]2(CCCO2)O1

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found in taxon

Chrysanthemum indicum

1 reference

stated in

Medicinal flowers. I. Aldose reductase inhibitors and three new eudesmane-type sesquiterpenes, kikkanols A, B, and C, from the flowers of Chrysanthemum indicum L

Tanacetum parthenium

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stated in

Monoterpene glucosides from petals of Tanacetum vulgare

stated in

Sesquiterpene lactones and other constituents from Tanacetum parthenium

Tanacetum vulgare

1 reference

stated in

Monoterpene glucosides from petals of Tanacetum vulgare

Dendranthema indicum

1 reference

stated in

Medicinal flowers. I. Aldose reductase inhibitors and three new eudesmane-type sesquiterpenes, kikkanols A, B, and C, from the flowers of Chrysanthemum indicum L

Identifiers

InChI

InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+/t13-/m0/s1

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InChIKey

WTRXKCNFPMTAJV-WHGQRRHOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WTRXKCNFPMTAJV-WHGQRRHOSA-N

1 reference

(Q105312762)

(5S)-2-[(E)-2,4-Hexadiyne-1-ylidene]-1,6-dioxaspiro[4.4]nonane-3-ene

Statements

Identifiers

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