Spectrum VF-NPL-QEHF027273 for Piplartine

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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/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+
C17H19NO5
317.126322708
O=C(C=CC1=CC(OC)=C(OC)C(OC)=C1)N2C(=O)C=CCC2
VABYUUZNAVQNPG-BQYQJAHWSA-N

Mass Spectral Metadata

NameValue
65HCD
NP_UC_2553_p7_A11_8.raw
12
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.24290669410788
0.7246549231989418
335.1601257324219
[M+NH4]+
14.252815926970866 ppm
-0.00477697557812462 Da