Spectrum VF-NPL-QEHF004680 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_1024.raw
14
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.887983161681572
0.84027673311859
463.10009765625
[M+K]+
291.83606834450393 ppm
-0.1351493117499558 Da