Secodihydro-hydramicromelin B

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Systematic / IUPAC Name: 3-[5-(3,4-Dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl)-2-hydroxy-4-methoxyphenyl]propanoic acid

ID: Reference8133

Other Names: Benzenepropanoic acid, 2-hydroxy-4-methoxy-5-(tetrahydro-3,4-dihydroxy-4-methyl-5-oxo-2-furanyl)-;
Secodihydro-hydramicromelin B

Formula: C15H18O8

Spectral Data

Secodihydro-hydramicromelin B 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 2
No. of Spectra 260
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 8/7/2018 6:49:34 AM
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Identificators

InChI InChI=1S/C15H18O8/c1-15(21)13(19)12(23-14(15)20)8-5-7(3-4-11(17)18)9(16)6-10(8)22-2/h5-6,12-13,16,19,21H,3-4H2,1-2H3,(H,17,18)
InChI Key BNLUQONOBPMVBG-UHFFFAOYSA-N
Canonical SMILES CC1(C(C(OC1=O)C2=CC(=C(C=C2OC)O)CCC(=O)O)O)O
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Other Names Benzenepropanoic acid, 2-hydroxy-4-methoxy-5-(tetrahydro-3,4-dihydroxy-4-methyl-5-oxo-2-furanyl)-;
Secodihydro-hydramicromelin B

In Other Databases

PubChem 45360164
ChemSpider 22370372