Spectrum MetaboBASE0552 for Tectochrysin

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/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3
IRZVHDLBAYNPCT-UHFFFAOYSA-N
C16H12O4
268.073558864
O=C1C=C(OC=2C=C(OC)C=C(O)C12)C=3C=CC=CC3

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
10
0.017
2013-11-22 00:03:03+01:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
1133.4
C:\Data\Confirmed Standards\Confirmed Stds 21Nov13\Tectochrysin (vial 290).d
1.8941428549571788
0.632280418273179