Spectrum CCMSLIB00000848118 for NCGC00385397-01!(2S)-2-(2,6-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one

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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
n/a
n/a
InChI=1S/C15H12O6/c16-7-4-10(19)15-11(20)6-13(21-12(15)5-7)14-8(17)2-1-3-9(14)18/h1-5,13,16-19H,6H2/t13-/m0/s1
C15H12O6
288.06338810399996
O=C1C=2C(O)=CC(O)=CC2OC(C=3C(O)=CC=CC3O)C1
TWELZOKMSAJRKP-ZDUSSCGKSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
288.063
1
positive
E6_RE6_01_2862.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
0.933452263083124
0.24974177988257792
289.07
[M+H]+
4.698183830775134 ppm
-0.001358103999962168 Da