Spectrum CCMSLIB00005720281 for Gartanin

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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
33390-42-0
OJXQLGQIDIPMTE-UHFFFAOYSA-N
C23H24O6
396.15728848799995
O=C1C=2C(O)=CC=C(O)C2OC3=C1C(O)=C(C(O)=C3CC=C(C)C)CC=C(C)C
InChI=1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Ion Trap
396.157
1
f.tsmoe/4GNPS/20200326-Gartanin.mzXML;
MS2
GNPS-LIBRARY
tsmoe, Moe, Zhang
positive
0.057548652398091774
0.0357569881717622
397.713
[M+H]+
1377.2280815564811 ppm
0.5477415120000728 Da