(2Z,4E)-3-methyl-5-[(1R,2R,3R,5S,8S)-2,3,8-trihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]penta-2,4-dienoic acid (Q105219123)

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chemical compound

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Language	Label	Description	Also known as
English	(2Z,4E)-3-methyl-5-[(1R,2R,3R,5S,8S)-2,3,8-trihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]penta-2,4-dienoic acid	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

3-Methyl-5-(2,3,8-trihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl)penta-2,4-dienoic acid

1 reference

based on heuristic

inferred from SMILES

mass

298.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₂O₆

0 references

canonical SMILES

O=C(O)C=C(C=CC1(O)C2(OCC1(C)C(O)C(O)C2)C)C

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isomeric SMILES

CC(=C/C(=O)O)/C=C/[C@@]1(O)[C@]2(C)C[C@@H](O)[C@H](O)[C@@]1(C)CO2

0 references

found in taxon

Prunus domestica

1 reference

stated in

Abscisic acid related compounds and lignans in prunes (Prunus domestica L.) and their oxygen radical absorbance capacity (ORAC).

Identifiers

InChI

InChI=1S/C15H22O6/c1-9(6-11(17)18)4-5-15(20)13(2)8-21-14(15,3)7-10(16)12(13)19/h4-6,10,12,16,19-20H,7-8H2,1-3H3,(H,17,18)/b5-4+,9-6-/t10-,12+,13-,14+,15+/m1/s1

0 references

InChIKey

QECVMHWTNYFUKU-FMUGBDLASA-N

0 references

PubChem CID

11415277

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

QECVMHWTNYFUKU-FMUGBDLASA-N

UniChem compound ID

34484617

1 reference

stated in

UniChem

 

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