Spectrum VF-NPL-QEHF001593 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
65HCD
MX_C1_466_p6_E11_NEG_QEHF_256.raw
15
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
1.9591311102605473
0.3620212947202974
275.0924987792969
[M-H]-
0.004243288682482518 ppm
1.1672968867060263E-6 Da