Spectrum VF-NPL-QEHF001199 for ostruthin

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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/C19H22O3/c1-13(2)5-4-6-14(3)7-8-15-11-16-9-10-19(21)22-18(16)12-17(15)20/h5,7,9-12,20H,4,6,8H2,1-3H3/b14-7+
C19H22O3
298.156894564
O=C1OC=2C=C(O)C(=CC2C=C1)CC=C(C)CCC=C(C)C
INBMTJJPUABOQJ-VGOFMYFVSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_C1_258_p24_D07_POS_QEHF_12.raw
14
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
1.9879360450173993
0.3641184921212882
299.1641540527344
[M+H]+
2.374987965725866 ppm
-7.105112656518031E-4 Da