Irisxanthone

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Systematic / IUPAC Name: 1,3,6-Trihydroxy-5-methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one

ID: Reference8166

Other Names: D-Glucitol, 1,5-anhydro-1-C-(1,3,6-trihydroxy-5-methoxy-9-oxo-9H-xanthen-2-yl)-, (1S)-;
(1S)-1,5-Anhydro-1-(1,3,6-trihydroxy-5-methoxy-9-oxo-9H-xanthen-2-yl)-D-glucitol

Formula: C20H20O11

Spectral Data

Irisxanthone 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 155
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 8/22/2018 10:36:43 AM
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Identificators

InChI InChI=1S/C20H20O11/c1-29-19-7(22)3-2-6-13(24)12-9(30-18(6)19)4-8(23)11(15(12)26)20-17(28)16(27)14(25)10(5-21)31-20/h2-4,10,14,16-17,20-23,25-28H,5H2,1H3/t10-,14-,16+,17-,20+/m1/s1
InChI Key MTQVPZUZBBTLNO-HSLVGEKZSA-N
Canonical SMILES COC1=C(C=CC2=C1OC3=CC(=C(C(=C3C2=O)O)C4C(C(C(C(O4)CO)O)O)O)O)O
CAS 51419568
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Other Names D-Glucitol, 1,5-anhydro-1-C-(1,3,6-trihydroxy-5-methoxy-9-oxo-9H-xanthen-2-yl)-, (1S)-;
(1S)-1,5-Anhydro-1-(1,3,6-trihydroxy-5-methoxy-9-oxo-9H-xanthen-2-yl)-D-glucitol

In Other Databases

ChemSpider 4444956
PubChem 5281637
ChEBI CHEBI:5973
KEGG C10067