Nictoflorin

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Systematic / IUPAC Name: 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

ID: Reference8177

Other Names: Kaempferol 3-O-(6''-O-α-L-rhamnopyranosyl)-β-D-glucopyranoside;
Kaempferol 3-O-rutinose;
Kaempferol-3-O-β-rutinoside;
Kaempferol-3-O-rutinoside;
Nicotiflorin ; more

Formula: C27H30O15

Spectral Data

Nictoflorin 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 8/24/2018 8:50:33 AM
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Identificators

InChI InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
InChI Key RTATXGUCZHCSNG-QHWHWDPRSA-N
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O
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Other Names Kaempferol 3-O-(6''-O-α-L-rhamnopyranosyl)-β-D-glucopyranoside;
Kaempferol 3-O-rutinose;
Kaempferol-3-O-β-rutinoside;
Kaempferol-3-O-rutinoside;
Nicotiflorin;
3-((6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;
4H-1-Benzopyran-4-one,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-;
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one

In Other Databases

ChemIDPlus 017650849
ChemSpider 4477257
PubChem 5318767
ChEMBL CHEMBL498879
ChEBI CHEBI:69657