Spectrum VF-NPL-QTOF004386 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
JDIDEXHTJXTVES-HYXAFXHYSA-N
C24H32O4
384.230059504
OC=1C=C(O)C=C(C1)CCCC=CCCCCCCCC=2C=C(O)C=C(O)C2
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-

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
negative
10 V
MX_UC_389
5.6877 minutes
0.46288066723278964
0.6677956431401202
383.224
[M-H]-
3.1743732124909596 ppm
0.0012164959999836356 Da