Spectrum VF-NPL-QTOF003368 for 3-(2-hydroxy-4-methoxy-6-methylphenoxy)-5-methylbenzene-1,2-diol

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  • 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
276.099773612
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
positive
40 V
MX_C1_466
2.6834832752369997 ppm
-7.436119999510993E-4 Da
4.2295 minutes
2.982405983680246
0.8768694224452075
277.107
[M+H]+