Spectrum CCMSLIB00000854593 for NCGC00384753-01_C17H18O5_3-(2-Hydroxy-3,4-dimethoxyphenyl)-7-chromanol

Rating: (*)★(*)★(*)★(*)★(*)☆

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
52250-35-8
InChI=1S/C17H18O5/c1-20-14-6-5-13(16(19)17(14)21-2)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3
C17H18O5
302.115423676
OC1=CC=C2C(OCC(C3=CC=C(OC)C(OC)=C3O)C2)=C1
NQRBAPDEZYMKFL-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
302.115
1
positive
A8_RA8_01_8009.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.224020614583263
0.6084989613756904
303.123
[M+H]+
1.2987335173754828 ppm
-3.9367599998740843E-4 Da