Spectrum PM006004 for Sweroside

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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
358.13
InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1
VSJGJMKGNMDJCI-ZASXJUAOSA-N
C16H22O9
358.126382284
O=C1OCCC2C1=COC(OC3OC(CO)C(O)C(O)C3O)C2C=C

Mass Spectral Metadata

NameValue
PM006004
Suryawanshi S, Asthana RK, & Gupta RC
Copyright(C) 2012 Plant Science Center, RIKEN
QqQ
API 4000
ESI
positive
Swertia chirata
[M+H]+
MS2
0.0
NaN
359
[M+H]+
374.24034540386566 ppm
-0.13435228399998778 Da