Spectrum CCMSLIB00000850566 for NCGC00380175-01_C16H24O6_beta-D-Glucopyranoside, 5-methyl-2-(1-methylethyl)phenyl

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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
20772-23-0
InChI=1S/C16H24O6/c1-8(2)10-5-4-9(3)6-11(10)21-16-15(20)14(19)13(18)12(7-17)22-16/h4-6,8,12-20H,7H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1
C16H24O6
312.157288488
OCC1OC(OC2=CC(=CC=C2C(C)C)C)C(O)C(O)C1O
GKQGIQVSMCHAFX-IBEHDNSVSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
312.157
1
positive
G7_GG7_01_7927.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.2999130090526436
0.7197244090397485
330.191
[M+NH4]+
14.744460024823388 ppm
-0.004868488000056459 Da