Spectrum CCMSLIB00000848301 for NCGC00017331-10!(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

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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/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
C15H14O6
290.079038168
OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)C(O)C2)C1
PFTAWBLQPZVEMU-DZGCQCFKSA-N

Mass Spectral Metadata

NameValue
291.086
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
290.079
1
positive
G5_GG5_01_2722.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.6759565109172967
0.7304248623042278
[M+H]+
3.463471276524728 ppm
-0.0010081679999984772 Da