Mussaenosidic acid

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Systematic / IUPAC Name: (1S,4aS,7S,7aS)-1-(β-D-Glucopyranosyloxy)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

ID: Reference7470

Other Names: Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-, (1S,4aS,7S,7aS)-

Formula: C16H24O10

Spectral Data

Mussaenosidic acid 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 2786
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/28/2018 8:53:18 AM
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Identificators

InChI InChI=1S/C16H24O10/c1-16(23)3-2-6-7(13(21)22)5-24-14(9(6)16)26-15-12(20)11(19)10(18)8(4-17)25-15/h5-6,8-12,14-15,17-20,23H,2-4H2,1H3,(H,21,22)/t6-,8-,9-,10-,11+,12-,14+,15+,16+/m1/s1
InChI Key VLCHQFXSBHIBRV-NJPMDSMTSA-N
Canonical SMILES CC1(CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O
CAS
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Other Names Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-, (1S,4aS,7S,7aS)-

In Other Databases

PubChem 21633105
ChEMBL CHEMBL3426657
ChemSpider 10264396