Spectrum VF-NPL-QEHF026932 for Triptophenolide

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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/C20H24O3/c1-11(2)12-4-6-16-14(18(12)21)5-7-17-15-10-23-19(22)13(15)8-9-20(16,17)3/h4,6,11,17,21H,5,7-10H2,1-3H3/t17-,20+/m0/s1
C20H24O3
312.17254462799997
O=C1OCC2=C1CCC3(C4=CC=C(C(O)=C4CCC23)C(C)C)C
KPXIBWGPZSPABK-FXAWDEMLSA-N

Mass Spectral Metadata

NameValue
35HCD
NP_UC_2460_p6_D09_9.raw
14
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
0.7347820855873396
0.14340110284555765
311.1652526855469
[M-H]-
0.05123468306901728 ppm
-1.5942453103434673E-5 Da