Spectrum VF-NPL-QEHF027278 for Curcumin

Rating: (*)★(*)★(*)★(*)★(*)☆
  • 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/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/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
C21H20O6
368.12598835999995
O=C(C=CC1=CC=C(O)C(OC)=C1)CC(=O)C=CC2=CC=C(O)C(OC)=C2
VFLDPWHFBUODDF-FCXRPNKRSA-N

Mass Spectral Metadata

NameValue
45HCD
NP_UC_2556_p7_D11_9.raw
14
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.3124453196450614
0.4294637273652265
367.1187133789062
[M-H]-
0.0027754134974415316 ppm
1.0189062322751852E-6 Da