{(1R,2R)-2-[(2Z)-5-(Hexopyranosyloxy)-2-penten-1-yl]-3-oxocyclopentyl}acetic acid

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Systematic / IUPAC Name: 2-[(1R,2R)-3-Oxo-2-[(Z)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid

ID: Reference8229

Other Names: Cyclopentaneacetic acid, 2-[(2Z)-5-(hexopyranosyloxy)-2-penten-1-yl]-3-oxo-, (1R,2R)-

Formula: C18H28O9

Spectral Data

{(1R,2R)-2-[(2Z)-5-(Hexopyranosyloxy)-2-penten-1-yl]-3-oxocyclopentyl}acetic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 4
No. of Spectra 2492
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/4/2018 12:28:27 PM
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Identificators

InChI InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1-/t10-,11-,13?,15?,16?,17?,18?/m1/s1
InChI Key JFDNMLUPLXZXGV-YAYCWVCRSA-N
Canonical SMILES C1CC(=O)C(C1CC(=O)O)CC=CCCOC2C(C(C(C(O2)CO)O)O)O
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Other Names Cyclopentaneacetic acid, 2-[(2Z)-5-(hexopyranosyloxy)-2-penten-1-yl]-3-oxo-, (1R,2R)-

In Other Databases

PubChem 24066896
ChemSpider 22912900