Spectrum CCMSLIB00000851371 for NCGC00381226-01_C20H30O12_Hexopyranoside, 3,4-dimethoxyphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-

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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/C20H30O12/c1-8-13(21)15(23)17(25)19(30-8)29-7-12-14(22)16(24)18(26)20(32-12)31-9-4-5-10(27-2)11(6-9)28-3/h4-6,8,12-26H,7H2,1-3H3/t8-,12?,13-,14?,15+,16?,17+,18?,19+,20?/m0/s1
C20H30O12
462.17372639999996
OC1C(O)C(OCC2OC(OC3=CC=C(OC)C(OC)=C3)C(O)C(O)C2O)OC(C)C1O
ALPIUWBZQOROIJ-LHZCODTLSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
462.174
1
positive
A2_GA2_01_7990.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
1.2911940648326918
0.27212066050733696
485.163
[M+Na]+
1.023161288009449 ppm
-4.963999999745283E-4 Da