Spectrum PM002113 for 2'-Hydroxyformononetin

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
284.07
InChI=1S/C16H12O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-8,17-18H,1H3
XKHHKXCBFHUOHM-UHFFFAOYSA-N
C16H12O5
284.068473484
O=C1C(=COC2=CC(O)=CC=C12)C=3C=CC(OC)=CC3O

Mass Spectral Metadata

NameValue
PM002113
Liu R, Ye M, Guo H, Bi K, & Guo DA
Copyright(C) 2012 Plant Science Center, RIKEN
CH3CN/H2O/CH3COOH
QIT
LCQ
30->34%
ESI
negative
Dalbergia odorifera
[M-H]-
MS2
1.0986122886681096
0.9999999999999998
283
[M-H]-
216.24552650173234 ppm
-0.061197483999990254 Da