Spectrum VF-NPL-QTOF003371 for 3-(2-hydroxy-4-methoxy-6-methylphenoxy)-5-methylbenzene-1,2-diol

Rating: (*)★(*)★(*)★(*)★(*)☆
  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
JGXPRDVSWGDODG-UHFFFAOYSA-N
C15H16O5
276.09977361200004
OC=1C=C(C=C(OC2=C(O)C=C(OC)C=C2C)C1O)C
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

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
negative
40 V
MX_C1_466
4.2295 minutes
1.5889316696781228
0.8867996497111766
275.093
[M-H]-
1.8262478506272342 ppm
5.023879999725978E-4 Da