Spectrum VF-NPL-QEHF006858 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
65HCD
MX_C2_479_p19_F11_NEG_QEHF_590.raw
9
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.72857736065566
0.5460199029328763
315.2329406738281
[M-H]-
0.04311152205704365 ppm
-1.3590171874966472E-5 Da