Spectrum KO009285 for Tetrahydropalmatine

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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
AEQDJSLRWYMAQI-UHFFFAOYSA-N
C21H25NO4
355.17835828000005
O(C1=CC=C2C(=C1OC)CN3CCC4=CC(OC)=C(OC)C=C4C3C2)C

Mass Spectral Metadata

NameValue
KO009285
2011.12.05 (Created 2008.05.12)
Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
355.17836
LC/MSD Trap XCT, Agilent Technologies
LC-ESI-IT
MS3
1.00/0.60
LC/MSD Trap Control and Data Analysis
positive
356/165
[M+H]+
1.9118799473049157
0.4938725583915192
165.0
[M+H]+
1158705.0198787882 ppm
-191.18632828000005 Da