Spectrum VF-NPL-QEHF002272 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
35HCD
MX_C1_602_p01_C08_POS_QEHF_408.raw
14
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.827093063574983
0.5098291428689019
237.1121368408203
[M+H]+
2.9190879425815757 ppm
-6.921511796917912E-4 Da