[2-[2-(Cyanomethylidene)-3,5-dihydroxy-4-methoxycyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (Q105148062)

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group of stereoisomers with the chemical formula C₂₅H₃₁NO₁₂

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Language	Label	Description	Also known as
English	[2-[2-(Cyanomethylidene)-3,5-dihydroxy-4-methoxycyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	group of stereoisomers with the chemical formula C₂₅H₃₁NO₁₂

Statements

instance of

group of stereoisomers

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subclass of

alkyl caffeate ester

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inferred from

alkyl caffeate ester

mass

537.184625432 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₁NO₁₂

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canonical SMILES

N#CC=C1C(O)C(OC)C(O)CC1OC2OC(CO)C(O)C(O)C2OC(=O)C=CC3=CC=C(O)C(OC)=C3

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found in taxon

Simmondsia chinensis

1 reference

stated in

Isolation and identification of molecular species of phosphatidylcholine and lysophosphatidylcholine from jojoba seed meal (Simmondsia chinensis)

Identifiers

InChI

InChI=1S/C25H31NO12/c1-34-17-9-12(3-5-14(17)28)4-6-19(30)38-24-22(33)21(32)18(11-27)37-25(24)36-16-10-15(29)23(35-2)20(31)13(16)7-8-26/h3-7,9,15-16,18,20-25,27-29,31-33H,10-11H2,1-2H3

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InChIKey

KZBHGKPXLHDZDW-UHFFFAOYSA-N

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PubChem CID

85104500

1 reference

stated in

PubChem

retrieved

2 January 2023

based on heuristic

inferred from InChIKey

 

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