Spectrum VF-NPL-LTQ003584 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
35
MX_C3_281_p16_B03_iTree_POS_40.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.7926089762339452
0.8158515040857565
407.1514205932617
M-H
4864.707725631144 ppm
1.9806726612617354 Da