Spectrum VF-NPL-QEHF021784 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
35HCD
MX_UC_389_p5_E10_POS_QEHF_1016.raw
13
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.325739781961568
0.6737917755972447
402.2638549804688
[M+NH4]+
11.893993139021003 ppm
-0.004784523531213836 Da