Spectrum VF-NPL-QEHF001765 for 1-(2,4-dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-one

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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/C17H18O5/c1-10(11-6-13(21-2)9-14(7-11)22-3)17(20)15-5-4-12(18)8-16(15)19/h4-10,18-19H,1-3H3
C17H18O5
302.115423676
O=C(C1=CC=C(O)C=C1O)C(C=2C=C(OC)C=C(OC)C2)C
TURHNAJJDDIVGC-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35HCD
MX_C1_511_p08_E06_POS_QEHF_18.raw
10
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.6282350530460805
0.7343352137988114
341.0785827636719
[M+K]+
396.216353525001 ppm
-0.13514091232809733 Da