Spectrum VF-NPL-QEHF006866 for 5-{8(Z),11(Z)-pentadecadienyl}resorcinol

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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/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h4-5,7-8,16-18,22-23H,2-3,6,9-15H2,1H3/b5-4-,8-7-
C21H32O2
316.240230264
OC=1C=C(O)C=C(C1)CCCCCCCC=CCC=CCCC
UFMJCOLGRWKUKO-UTOQUPLUSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_C2_479_p19_F11_POS_QEHF_586.raw
9
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.7765310842117548
0.5211328109456688
334.2740478515625
[M+NH4]+
14.247030148237933 ppm
-0.00476241243751474 Da