Spectrum VF-NPL-QEHF015060 for Kaempferol 3-alpha-L-arabinopyranoside

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  • 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/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
C20H18O10
418.089996776
O=C1C(OC2OCC(O)C(O)C2O)=C(OC=3C=C(O)C=C(O)C13)C=4C=CC(O)=CC4
RNVUDWOQYYWXBJ-IEGSVRCHSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_C6_10_p18_F09_POS_QEHF_302.raw
22
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.819565035777852
0.7358506927247392
457.0531616210938
[M+K]+
295.6661637060034 ppm
-0.13513515490620875 Da