Spectrum VF-NPL-QTOF006537 for afzelechin

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
RSYUFYQTACJFML-DZGCQCFKSA-N
C15H14O5
274.084123548
OC1=CC=C(C=C1)C2OC=3C=C(O)C=C(O)C3CC2O
InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15+/m0/s1

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
20 V
MX_C3_58
1.1725 minutes
2.162110406214956
0.6803252939168245
275.0914
[M+H]+
2.5211547869484643 ppm
-6.935479999583549E-4 Da