Spectrum VF-NPL-QEHF021776 for 5-[(Z)-12-(3,5-dihydroxyphenyl)dodec-8-enyl]benzene-1,3-diol

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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/C24H32O4/c25-21-13-19(14-22(26)17-21)11-9-7-5-3-1-2-4-6-8-10-12-20-15-23(27)18-24(28)16-20/h3,5,13-18,25-28H,1-2,4,6-12H2/b5-3-
C24H32O4
384.230059504
OC=1C=C(O)C=C(C1)CCCC=CCCCCCCCC=2C=C(O)C=C(O)C2
JDIDEXHTJXTVES-HYXAFXHYSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_UC_389_p5_E10_NEG_QEHF_1020.raw
12
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.020208877232974
0.5689631814747385
383.2227783203125
[M-H]-
0.013526564179263184 ppm
-5.1836875059052545E-6 Da