Spectrum VF-NPL-LTQ001147 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
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
276.099773612
OC=1C=C(C=C(OC2=C(O)C=C(OC)C=C2C)C1O)C
JGXPRDVSWGDODG-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
275 C
35
MX_C1_466_p6_E11_NEG_iTree_03.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
ESI Ion Max
0.0
NaN
275.120059967041
M-H
100.1830075361617 ppm
0.02756235504102733 Da