Spectrum CCMSLIB00000849086 for NCGC00380292-01!3-(2,4-dihydroxyphenyl)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one

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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
n/a
n/a
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
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
406.178
1
positive
C12_GC12_01_2807.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.735468791350599
0.8981903834461665
407.185
[M+H]+
2.440983827920146 ppm
-9.939319999716645E-4 Da