Spectrum VF-NPL-QEHF004325 for 2',6'-dihydroxy-4'-methoxydihydrochalcone

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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/C16H16O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,18-19H,7-8H2,1H3
C16H16O4
272.104858992
O=C(C=1C(O)=CC(OC)=CC1O)CCC=2C=CC=CC2
MDMCODCJMHTFIZ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_C2_194_p18_B04_POS_QEHF_133.raw
18
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.384370442681318
0.573101281472912
273.1121215820312
[M+H]+
2.5901815148788954 ppm
-7.074099688111346E-4 Da