Spectrum VF-NPL-QEHF002264 for (2R)-8-ethyl-7-hydroxy-5-methoxy-2-methyl-2,3-dihydrochromen-4-one

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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/C13H16O4/c1-4-8-9(14)6-11(16-3)12-10(15)5-7(2)17-13(8)12/h6-7,14H,4-5H2,1-3H3/t7-/m1/s1
C13H16O4
236.104858992
O=C1C=2C(OC)=CC(O)=C(C2OC(C)C1)CC
BPIMOIWHAHUBPJ-SSDOTTSWSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_C1_602_p01_C08_NEG_QEHF_410.raw
18
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.21147822038986
0.5647076027522636
235.0975799560547
[M-H]-
0.01291355413702592 ppm
-3.035945326246292E-6 Da