Spectrum CCMSLIB00000078748 for NCGC00160200-01!FOLIOSIDINE ACETONIDE

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
C19H25NO5
347.1732729
O=C1C=C(OC)C=2C=CC=C(OCC3OC(OC3(C)C)(C)C)C2N1C
InChI=1S/C19H25NO5/c1-18(2)15(24-19(3,4)25-18)11-23-13-9-7-8-12-14(22-6)10-16(21)20(5)17(12)13/h7-10,15H,11H2,1-6H3
HFXBOPGUQAUMHA-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Prestwick Phytochem Lib
qTOF
347.173
1
p1-B03_GB3_01_17887.mzXML
MS2
GNPS-PRESTWICKPHYTOCHEM
vphelan, Dorrestein, VVP/LMS
positive
5.423584125132019
348.181
0.6807025859227803
[M+H]+
0.697625660186158 ppm
-2.428999999892767E-4 Da