Spectrum VF-NPL-QEHF002669 for Evoxine

Rating: (*)★(*)★(*)★(*)★(*)☆
  • 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/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
C18H21NO6
347.136887392
OC(COC=1C=CC2=C(N=C3OC=CC3=C2OC)C1OC)C(O)(C)C
FGANMDNHTVJAHL-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
NP_C1_134_p6_E04_POS_QEHF_62.raw
13
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.7241580827581915
0.5103772642144095
348.1441955566406
[M+H]+
1.901038040638901 ppm
-6.618353593808024E-4 Da