Spectrum CCMSLIB00000854583 for NCGC00384741-01_C19H32O7_2-Cyclohexen-1-one, 3-[3-(beta-D-glucopyranosyloxy)butyl]-2,4,4-trimethyl-

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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
n/a
n/a
InChI=1S/C19H32O7/c1-10(5-6-12-11(2)13(21)7-8-19(12,3)4)25-18-17(24)16(23)15(22)14(9-20)26-18/h10,14-18,20,22-24H,5-9H2,1-4H3/t10?,14-,15-,16+,17-,18-/m1/s1
C19H32O7
372.214803364
O=C1C(=C(CCC(OC2OC(CO)C(O)C(O)C2O)C)C(C)(C)CC1)C
MRTYYJWDYPABSE-CAOIYLRSSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
372.215
1
positive
A8_RA8_01_8009.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
1.425160921353786
0.3122375554121502
395.204
[M+Na]+
1.4508051537694613 ppm
-5.733639999903062E-4 Da