Spectrum VF-NPL-QTOF005078 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
DBPWCIPDCMVUFT-UHFFFAOYSA-N
C16H18O5
290.115423676
O=C1OC2=C(C=C1)C=CC(OC)=C2C(OC)C(O)C(=C)C
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

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
20 V
MX_C2_368
2.9532 minutes
1.284596592881727
0.45340623415341297
313.1051
[M+Na]+
0.2991838842799788 ppm
-9.367600000587117E-5 Da