Spectrum CCMSLIB00000847396 for NCGC00381446-01!6,7-dihydroxy-5-[3-hydroxy-2-(methoxymethyl)-5-methylphenoxy]-4-methyl-3H-2-benzofuran-1-one

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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/C18H18O7/c1-8-4-12(19)11(6-23-3)13(5-8)25-17-9(2)10-7-24-18(22)14(10)15(20)16(17)21/h4-5,19-21H,6-7H2,1-3H3
C18H18O7
346.105252916
O=C1OCC=2C1=C(O)C(O)=C(OC3=CC(=CC(O)=C3COC)C)C2C
LQEYIIJYBJCNKH-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
346.105
1
negative
E5_BE5_01_3271.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.0973609404848643
0.8440401335252576
345.098
[M-H]-
0.06689114402266906 ppm
2.3084000019935047E-5 Da