Spectrum CCMSLIB00000845016 for NCGC00380168-01!3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol

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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/C23H24O7/c1-12-6-17(24)21(26)19(7-12)29-23-14(3)9-16(28-5)11-20(23)30-22-13(2)8-15(27-4)10-18(22)25/h6-11,24-26H,1-5H3
C23H24O7
412.152203108
OC=1C=C(C=C(OC=2C(OC3=C(O)C=C(OC)C=C3C)=CC(OC)=CC2C)C1O)C
CGEQZXRFQKBBQJ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
412.152
1
positive
C3_GC3_01_2798.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.795822638293509
0.6874670843025987
413.159
[M+H]+
2.8393620857564343 ppm
-0.0011731079999890426 Da