Spectrum VF-NPL-QEHF001545 for tetrahydropalmatine

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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/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3
C21H25NO4
355.17835828
O(C1=CC=C2C(=C1OC)CN3CCC4=CC(OC)=C(OC)C=C4C3C2)C
AEQDJSLRWYMAQI-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_C1_43_p15_E09_POS_QEHF_70.raw
10
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.7216177206444168
0.5146520977188576
356.1856384277344
[M+H]+
1.9367773183333044 ppm
-6.898522656229034E-4 Da