Desmanthin-1

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Systematic / IUPAC Name: 5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-2-O-(3,4,5-trihydroxybenzoyl)-α-L-mannopyranoside

ID: Reference8037

Other Names: Myricitrin 2"-O-gallate;
4H-1-Benzopyran-4-one, 3-{[6-deoxy-2-O-(3,4,5-trihydroxybenzoyl)-α-L-mannopyranosyl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-

Formula: C28H24O16

Spectral Data

Desmanthin-1 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
No. of Spectral Trees 3
No. of Spectra 5649
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 6/6/2018 10:26:46 AM
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Identificators

InChI InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3/t8-,19-,23+,26+,28-/m0/s1
InChI Key IXDHJNNHLVGCLC-MXXRNXGISA-N
Canonical SMILES CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O
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Other Names Myricitrin 2"-O-gallate;
4H-1-Benzopyran-4-one, 3-{[6-deoxy-2-O-(3,4,5-trihydroxybenzoyl)-α-L-mannopyranosyl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-

In Other Databases

PubChem 5316590
ChemSpider 4475609
ChEMBL CHEMBL2152656