7-({3-O-(β-D-Glucopyranosyl)-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

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Systematic / IUPAC Name: [(2S,3R,4S,5R,6R)-2-[3-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

ID: Reference8131

Other Names: 4',5-Dihydroxy-3-[(2-O-α-L-rhamnopyranosyl-β-D-glucopyranosyl)oxy]-7-[[3-O-β-D-glucopyranosyl-2-O-(4-hydroxy-trans-cinnamoyl)-β-D-glucopyranosyl]oxy]flavone;
4H-1-Benzopyran-4-one, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-7-[[3-O-β-D-glucopyranosyl-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-

Formula: C48H56O27

Spectral Data

7-({3-O-(β-D-Glucopyranosyl)-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside 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 8/6/2018 1:41:30 PM
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Identificators

InChI InChI=1S/C48H56O27/c1-17-30(56)35(61)38(64)45(66-17)75-43-37(63)32(58)26(15-50)70-47(43)74-42-34(60)29-23(54)12-22(13-24(29)68-40(42)19-5-9-21(53)10-6-19)67-48-44(72-28(55)11-4-18-2-7-20(52)8-3-18)41(33(59)27(16-51)71-48)73-46-39(65)36(62)31(57)25(14-49)69-46/h2-13,17,25-27,30-33,35-39,41,43-54,56-59,61-65H,14-16H2,1H3/b11-4+/t17-,25+,26+,27+,30-,31+,32+,33+,35+,36-,37-,38+,39+,41-,43+,44+,45-,46-,47-,48+/m0/s1
InChI Key OUYDFTJZSVOQJE-QQXREOSWSA-N
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)OC(=O)C=CC7=CC=C(C=C7)O)C8=CC=C(C=C8)O)CO)O)O)O)O)O
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Other Names 4',5-Dihydroxy-3-[(2-O-α-L-rhamnopyranosyl-β-D-glucopyranosyl)oxy]-7-[[3-O-β-D-glucopyranosyl-2-O-(4-hydroxy-trans-cinnamoyl)-β-D-glucopyranosyl]oxy]flavone;
4H-1-Benzopyran-4-one, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-7-[[3-O-β-D-glucopyranosyl-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-

In Other Databases

ChemSpider 29814684
PubChem 71694456