Spectrum VF-NPL-QEHF013075 for 3-(2,4-dihydroxyphenyl)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-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
InChI=1S/C25H26O5/c1-14(2)5-7-16-11-20-24(29)21(18-10-8-17(26)12-22(18)27)13-30-25(20)19(23(16)28)9-6-15(3)4/h5-6,8,10-13,26-28H,7,9H2,1-4H3
C25H26O5
406.178023932
O=C1C(=COC2=C1C=C(C(O)=C2CC=C(C)C)CC=C(C)C)C=3C=CC(O)=CC3O
DPJZYONMQLGZJE-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35HCD
MX_C3_281_p16_B03_NEG_QEHF_86.raw
19
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.90608758527725
0.4661366908806591
405.1707458496094
[M-H]-
0.005139538403807326 ppm
-2.0823906083933252E-6 Da