Spectrum VF-NPL-QTOF007527 for Dipteryxin

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
BSXFDHHTXOAUGB-UHFFFAOYSA-N
C17H14O6
314.079038168
O=C1C(=COC2=C(O)C(O)=C(OC)C=C12)C=3C=CC(OC)=CC3
InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)12-8-23-17-11(14(12)18)7-13(22-2)15(19)16(17)20/h3-8,19-20H,1-2H3

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
negative
10 V
NP_C3_197
3.6367 minutes
0.5754110342290346
0.4150713227775089
313.072
[M-H]-
0.759671896503243 ppm
2.3783199998206328E-4 Da