Spectrum VF-NPL-QEHF014511 for Myricetin

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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
InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
C15H10O8
318.03756728
O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=C(O)C(O)=C(O)C3
IKMDFBPHZNJCSN-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
NP_C4_43_p6_F05_NEG_QEHF_76.raw
11
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.7177529457518355
0.5184822804198062
317.0303039550781
[M-H]-
0.039980651497062446 ppm
1.2675078096435755E-5 Da