Spectrum CCMSLIB00005724268 for Cryptoporic acid 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
InChI=1S/C23H36O7/c1-14-8-9-17-22(2,3)10-7-11-23(17,4)16(14)13-30-19(21(27)29-6)15(12-18(24)25)20(26)28-5/h15-17,19H,1,7-13H2,2-6H3,(H,24,25)/t15-,16-,17-,19+,23+/m0/s1
C23H36O7
424.246103492
O=C(O)CC(C(=O)OC)C(OCC1C(=C)CCC2C(C)(C)CCCC12C)C(=O)OC
OCKYURAITHEIMQ-UGECPWBJSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
424.246
1
f.kbkang/Polyporaceae/191021_CV_MC_fr_5_neg.mzXML;
MS2
GNPS-LIBRARY
Kyo Bin Kang, kbkang, Pham Thi Huong
negative
1.8599767279519834
0.5708783353244273
423.237
[M-H]-
4.317892811737251 ppm
-0.0018274919999612393 Da