Spectrum VF-NPL-LTQ001794 for 2',4',6'-Trihydroxydihydrochalcone

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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/C15H14O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-5,8-9,16,18-19H,6-7H2
C15H14O4
258.089208928
O=C(C=1C(O)=CC(O)=CC1O)CCC=2C=CC=CC2
QWQGMMRHTWIOGH-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
MX_C2_167_p16_E11_NEG_iTree_02.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.0343936753350107
0.941545699064632
257.09832255045575
M-H
63.74846126239082 ppm
0.016389622455733388 Da