Spectrum VF-NPL-LTQ001872 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
420.15728848799995
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
35
MX_C2_21_p11_G09_POS_iTree_04.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.893040338864839
0.4589319498119612
443.2012115478516
M-H
54266.997546902836 ppm
24.051199059851626 Da