Spectrum MetaboBASE0893 for Catechin gallate

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/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1
LSHVYAFMTMFKBA-CTNGQTDRSA-N
C22H18O10
442.08999677599996
O=C(OC1CC=2C(O)=CC(O)=CC2OC1C3=CC=C(O)C(O)=C3)C4=CC(O)=C(O)C(O)=C4

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
Nitrogen
0.015
2014-08-19 20:50:17+02:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
283.8
C:\Data\Confirmed standards 19_Aug_2014\Catechin gallate vial 371_1-E,3_01_657.d
2.2477867799753013
0.6675346905841446