Spectrum VF-NPL-LTQ001835 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
35
MX_C2_194_p18_B04_NEG_iTree_02.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.3513754708959499
0.5069276493516112
271.13275451660155
M-H
129.7206774749298 ppm
0.035171524601537385 Da