Spectrum PM001112 for Isosakuranetin

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
286.08
InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
HMUJXQRRKBLVOO-AWEZNQCLSA-N
C16H14O5
286.084123548
O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C(OC)C=C3)C1

Mass Spectral Metadata

NameValue
PM001112
Fabre N, Rustan I, de Hoffmann E, & Quetin-Leclercq J
Copyright(C) 2012 Plant Science Center, RIKEN
MeOH/H2O/HCOOH
QIT
LCQ
45%
ESI
negative
authentic sample
[M-H]-
MS2
1.6940188262872438
0.6419030034994392
285
[M-H]-
269.640519298208 ppm
-0.07684754799998927 Da