Spectrum VF-NPL-QEHF006868 for 5-{8(Z),11(Z)-pentadecadienyl}resorcinol

Rating: (*)★(*)★(*)★(*)★(*)☆
  • 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
8
35HCD
MX_C2_479_p19_F11_POS_QEHF_588.raw
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.5424761874697346
0.44680414442671573
317.2474975585938
[M+H]+
2.215006931784804 ppm
-7.02705406183668E-4 Da