Spectrum VF-NPL-QEHF004552 for pomiferin

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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/C25H24O6/c1-13(2)5-7-15-21(28)20-22(29)17(14-6-8-18(26)19(27)11-14)12-30-24(20)16-9-10-25(3,4)31-23(15)16/h5-6,8-12,26-28H,7H2,1-4H3
C25H24O6
420.157288488
O=C1C(=COC=2C=3C=CC(OC3C(=C(O)C12)CC=C(C)C)(C)C)C=4C=CC(O)=C(O)C4
GHCZYXUOYFOXIP-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35HCD
MX_C2_21_p11_G09_NEG_QEHF_60.raw
11
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
1.879796748785728
0.3419572899618631
419.1499938964844
[M-H]-
0.044355280714512 ppm
-1.8591515640764555E-5 Da