Spectrum CCMSLIB00000847437 for NCGC00169297-02!5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one

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
n/a
InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
C17H14O6
314.079038168
O=C1C=C(OC=2C=C(OC)C(OC)=C(O)C12)C=3C=CC(O)=CC3
ZIIAJIWLQUVGHB-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
314.079
1
positive
A3_GA3_01_2683.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.485737680529236
0.5516308387355648
315.086
[M+H]+
3.1996597754215585 ppm
-0.0010081679999984772 Da