(Q104938519)

English

Cyclohexanecarboxylic acid,1,3,4-trihydroxy-5-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-,(1r,3r,4s,5r)-

group of stereoisomers with the chemical formula C₁₆H₁₈O₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

338.100167536 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₆H₁₈O₈

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canonical SMILES

O=C(OC1CC(O)(C(=O)O)CC(O)C1O)C=CC2=CC=C(O)C=C2

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found in taxon

Bombax ceiba

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stated in

Three Novel Compounds from the Flowers ofBombax malabaricum

Bombax malabaricum

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stated in

Three Novel Compounds from the Flowers ofBombax malabaricum

Chara tomentosa

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stated in

Liquid chromatography coupled with ultraviolet absorbance detection, electrospray ionization, collision-induced dissociation and tandem mass spectrometry on a triple quadrupole for the on-line characterization of polyphenols and methylxanthines in g

Identifiers

InChI

InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)

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InChIKey

BMRSEYFENKXDIS-UHFFFAOYSA-N

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1 reference

26 December 2021

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MassBank accession ID

MSBNK-RIKEN-PR309013

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InChIKey

BMRSEYFENKXDIS-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

BMRSEYFENKXDIS-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

(Q104938519)

Cyclohexanecarboxylic acid,1,3,4-trihydroxy-5-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-,(1r,3r,4s,5r)-

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Identifiers

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