Spectrum CCMSLIB00000847421 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
MS2
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
412.152
1
negative
C3_GC3_01_3030.mzXML
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.351776395553855
0.9168899918871485
411.145
[M-H]-
0.17729025037759885 ppm
7.289199999149787E-5 Da