Spectrum VF-NPL-QEHF027268 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
317.12632270800003
O=C(C=CC1=CC(OC)=C(OC)C(OC)=C1)N2C(=O)C=CCC2
VABYUUZNAVQNPG-BQYQJAHWSA-N

Mass Spectral Metadata

NameValue
35HCD
NP_UC_2553_p7_A11_6.raw
13
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.275011880397054
0.7304962354210615
356.0894775390625
[M+K]+
379.52587049613527 ppm
-0.1351451689375267 Da