Spectrum VF-NPL-QEHF004683 for Rutarin

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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/C20H24O10/c1-20(2,26)11-6-9-5-8-3-4-12(22)29-16(8)18(17(9)28-11)30-19-15(25)14(24)13(23)10(7-21)27-19/h3-5,10-11,13-15,19,21,23-26H,6-7H2,1-2H3/t10-,11+,13-,14+,15-,19+/m1/s1
C20H24O10
424.13694696799996
O=C1OC=2C(OC3OC(CO)C(O)C(O)C3O)=C4OC(CC4=CC2C=C1)C(O)(C)C
JWWFVRMFYKPZNE-VVIWCBLHSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_C2_236_p10_G11_POS_QEHF_1026.raw
14
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.6324325574952128
0.4927495048680365
442.1707763671875
[M+NH4]+
10.743814531380469 ppm
-0.0047506008124855725 Da