Spectrum TY000243 for Bisdemethoxycurcumin

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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
Natural Product; diarylheptanoid
InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2/b11-5+,12-6+
PREBVFJICNPEKM-YDWXAUTNSA-N
C19H16O4
308.104858992
O=C(C=CC1=CC=C(O)C=C1)CC(=O)C=CC2=CC=C(O)C=C2

Mass Spectral Metadata

NameValue
TY000243
2016.01.19 (Created 2010.10.22, modified 2011.05.06)
Ken TANAKA
CC BY-SA
308.10486
LCMS-IT-TOF
LC-ESI-ITTOF
MS2
200 C
-3.50 kV
0.1 sec/scan (m/z = 200-2000)
Waters Atlantis T3 (2.1 x 150 mm, 5 um)
40 C
10 % B to 100 % B/40 min
0.2 ml/min
20.988700 min
5 mM ammonium acetate
CH3CN
negative
1.7722711149584436
0.6019045147473788
307.0935
[M-H]-
13.295598897429722 ppm
-0.004082992000007835 Da