Spectrum VF-NPL-QEHF013766 for Dipteryxin

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  • 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/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
C17H14O6
314.07903816799995
O=C1C(=COC2=C(O)C(O)=C(OC)C=C12)C=3C=CC(OC)=CC3
BSXFDHHTXOAUGB-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
NP_C3_197_p2_C11_POS_QEHF_24.raw
14
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.1027740539643323
0.5575995462036947
315.0863037109375
[M+H]+
2.235759073490674 ppm
-7.044570624543667E-4 Da