Spectrum VF-NPL-QTOF007673 for Evoxine

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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
FGANMDNHTVJAHL-UHFFFAOYSA-N
C18H21NO6
347.13688739199995
OC(COC=1C=CC2=C(N=C3OC=CC3=C2OC)C1OC)C(O)(C)C
InChI=1S/C18H21NO6/c1-18(2,21)13(20)9-25-12-6-5-10-14(16(12)23-4)19-17-11(7-8-24-17)15(10)22-3/h5-8,13,20-21H,9H2,1-4H3

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
10 V
NP_C1_134
3.4345 minutes
1.829710965099978
0.5551582312744161
370.1253
[M+Na]+
3.6673850719972996 ppm
-0.001357391999988522 Da