Spectrum CCMSLIB00005723598 for Axinyssimide A

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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
C16H24Cl3NO
351.092347428
ClC(Cl)=NCC(Cl)C(=C)CCC=C(C)CCC1OC1(C)C
InChI=1S/C16H24Cl3NO/c1-11(8-9-14-16(3,4)21-14)6-5-7-12(2)13(17)10-20-15(18)19/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+
SGSUCMPCVPXNFI-IZZDOVSWSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
0.0
0
f.MSV000085568/raw/Converted-Data/200609_sample_05.mzXML;
MS2
GNPS-LIBRARY
by Peter, PeterMichael
positive
6.550864008016081
0.8720449784934803
352.034
[M+H]+
188.383587948865 ppm
-0.06631742799999074 Da