Spectrum MetaboBASE0684 for Silychristin

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
InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22+,23+,24-/m1/s1
BMLIIPOXVWESJG-LMBCONBSSA-N
C25H22O10
482.121296904
O=C1C=2C(O)=CC(O)=CC2OC(C3=CC(O)=C4OC(C5=CC=C(O)C(OC)=C5)C(C4=C3)CO)C1O

Mass Spectral Metadata

NameValue
License CC-BY-NC-SA 4.0 International
Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LC-ESI-TOF
impact HD
ESI
negative
MS2
5
Nitrogen
10
0.015
2014-01-04 15:26:30+01:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
447
C:\Data\Confirmed Standards\Confirmed stds MSMS 2Jan14\Silychristin (vial 334)_MSMS_2418.d
1.0844104411787605
0.6052209907649925
481.1183
[M-H]-
8.894062021643977 ppm
0.004279095999947913 Da