Spectrum VF-NPL-QTOF002257 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
TURHNAJJDDIVGC-UHFFFAOYSA-N
C17H18O5
302.115423676
O=C(C1=CC=C(O)C=C1O)C(C=2C=C(OC)C=C(OC)C2)C
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

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
negative
10 V
MX_C1_511
5.3493 minutes
0.2379712750654882
0.21661078937501235
301.1094
[M-H]-
4.159033228475799 ppm
0.0012523240000064106 Da