Spectrum MetaboBASE0349 for Demethyl medicarpin

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
C15H12O4
256.073558864
OC1=CC=C2C(OCC3C4=CC=C(O)C=C4OC23)=C1
InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2
ODMIEGVTNZNSLD-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
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
negative
Nitrogen
0.015
2014-01-10 23:53:00+01:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
493.8
C:\Data\Confirmed Standards\14Jan10 Confirmed stds MSMS\Demethyl medicarpin (vial 104).d
1.9796289179274948
0.796661282264421