Spectrum CCMSLIB00000847066 for NCGC00384510-01!3-(2-hydroxy-4-methoxy-6-methylphenoxy)-5-methylbenzene-1,2-diol

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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/C15H16O5/c1-8-4-11(16)14(18)13(5-8)20-15-9(2)6-10(19-3)7-12(15)17/h4-7,16-18H,1-3H3
C15H16O5
276.09977361200004
OC=1C=C(C=C(OC2=C(O)C=C(OC)C=C2C)C1O)C
JGXPRDVSWGDODG-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
276.1
1
positive
A10_GA10_01_2690.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.8449762184690055
0.45394689326339643
299.089
[M+Na]+
1.8175593220016344 ppm
-5.436120000581468E-4 Da