Spectrum VF-NPL-QEHF005784 for 8-(2-hydroxy-1-methoxy-3-methylbut-3-enyl)-7-methoxychromen-2-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/C16H18O5/c1-9(2)14(18)16(20-4)13-11(19-3)7-5-10-6-8-12(17)21-15(10)13/h5-8,14,16,18H,1H2,2-4H3
C16H18O5
290.115423676
O=C1OC2=C(C=C1)C=CC(OC)=C2C(OC)C(O)C(=C)C
DBPWCIPDCMVUFT-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_C2_368_p05_F02_POS_QEHF_1786.raw
14
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.2079156304271996
0.4044108521987884
308.1492309570312
[M+NH4]+
15.488336459533292 ppm
-0.004772718968808931 Da