Spectrum CB000239 for Fraxin

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
Benzopyranoids
InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1
CRSFLLTWRCYNNX-QBNNUVSCSA-N
C16H18O10
370.089996776
O=C1OC=2C(OC3OC(CO)C(O)C(O)C3O)=C(O)C(OC)=CC2C=C1

Mass Spectral Metadata

NameValue
CB000239
2018.04.04
Nogawa T, Okano A, CSRS, RIKEN
BY-CC
Origin: Plant, Coumarins
370.3159
ABSciex API3200 LC/MS system
LC-ESI-QQQ
MS1
positive
4.0173702630435555
0.846665485272038
[M+H]+
371.097966776
0.0 ppm
0.0 Da