Spectrum PM006207 for Kaempferol-3-O-arabinopyranoside

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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
418.09
InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15-,17+,20-/m0/s1
RNVUDWOQYYWXBJ-IEGSVRCHSA-N
C20H18O10
418.08999677599996
O=C1C(OC2OCC(O)C(O)C2O)=C(OC=3C=C(O)C=C(O)C13)C=4C=CC(O)=CC4

Mass Spectral Metadata

NameValue
PM006207
Lhuillier A, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3CN/HCOOH
QqQ
API 365
30V
ESI
negative
Agauria salicifolia
[M-H]-
MS2
1.3862943611198906
1.0
417
[M-H]-
198.37116546756292 ppm
-0.08272077599997374 Da