Spectrum VF-NPL-QEHF004558 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
420.157288488
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
35HCD
MX_C2_21_p11_G09_POS_QEHF_54.raw
10
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.735346249173698
0.7414178368484101
459.1204528808594
[M+K]+
294.33584649232154 ppm
-0.13513560714062578 Da