2-[1-[4,5-Dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]indol-3-yl]acetic acid

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Systematic / IUPAC Name: 2-[1-[4,5-Dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]indol-3-yl]acetic acid

ID: Reference8507

Other Names:

Formula: C21H27NO11

Spectral Data

2-[1-[4,5-Dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]indol-3-yl]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 1
No. of Spectra 1690
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 2/22/2019 2:03:28 PM
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Identificators

InChI InChI=1S/C21H27NO11/c23-7-13-16(28)17(29)18(30)21(32-13)33-19-15(27)12(24)8-31-20(19)22-6-9(5-14(25)26)10-3-1-2-4-11(10)22/h1-4,6,12-13,15-21,23-24,27-30H,5,7-8H2,(H,25,26)/t12?,13-,15?,16-,17+,18-,19?,20?,21+/m1/s1
InChI Key ISMUGWMKUVABAZ-XRNKWZDJSA-N
Canonical SMILES C1C(C(C(C(O1)N2C=C(C3=CC=CC=C32)CC(=O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
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In Other Databases

PubChem 57509515