Spectrum VF-NPL-QEHF027599 for ANISOMYCIN

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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/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m0/s1
C14H19NO4
265.131408088
O=C(OC1C(O)CNC1CC2=CC=C(OC)C=C2)C
YKJYKKNCCRKFSL-BFHYXJOUSA-N

Mass Spectral Metadata

NameValue
45HCD
NP_UC_2647_p9_G02_6.raw
9
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.112438908640145
0.5537752525135955
304.0945739746094
[M+K]+
444.3818632617347 ppm
-0.13513411339062031 Da