Spectrum CCMSLIB00000078313 for Curcumin

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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
458-37-7, 15845-47-3, 33171-04-9
C21H20O6
368.12598835999995
O=C(C=CC1=CC=C(O)C(OC)=C1)C=C(O)C=CC2=CC=C(O)C(OC)=C2
InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13-
ZIUSSTSXXLLKKK-KOBPDPAPSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
368.126
1
Plate5_21_40_GH7_01_16509.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
4.818929258704817
0.8149026480768128
369.133
[M+H]+
2.596245797504073 ppm
-9.583599999700709E-4 Da