Spectrum VF-NPL-QEHF013153 for sweroside

Rating: (*)★(*)★(*)★(*)★(*)☆
  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
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
C16H22O9
358.126382284
O=C1OCCC2C1=COC(OC3OC(CO)C(O)C(O)C3O)C2C=C
VSJGJMKGNMDJCI-ZASXJUAOSA-N

Mass Spectral Metadata

NameValue
35HCD
MX_C3_39_p13_H05_POS_QEHF_292.raw
16
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.498306737942941
0.71268943863417
359.1336669921875
[M+H]+
1.9081803670127193 ppm
-6.85291812487776E-4 Da