Spectrum VF-NPL-QEHF005785 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
35HCD
MX_C2_368_p05_F02_POS_QEHF_1788.raw
15
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.459034488183341
0.5882178530726198
291.1226806640625
[M+H]+
2.449180310690496 ppm
-7.130119374778587E-4 Da