Spectrum VF-NPL-QEHF011231 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
45HCD
NP_C2_21_p1_C04_POS_QEHF_89.raw
15
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.3218165829491446
0.41364040494760496
421.16455078125
[M+H]+
1.6803568786515561 ppm
-7.07706749949466E-4 Da