Spectrum VF-NPL-QEHF005899 for Tulipinolide

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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
C17H22O4
290.151809184
O=C1OC2C=C(C)CCC=C(C)CC(OC(=O)C)C2C1=C
InChI=1S/C17H22O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h6,9,14-16H,3,5,7-8H2,1-2,4H3/b10-6-,11-9-
UPNVKIZABMRHNR-ZUYWJZQFSA-N

Mass Spectral Metadata

NameValue
35HCD
MX_C2_378_p12_D07_POS_QEHF_1854.raw
12
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.982627690870945
0.7962435877097909
329.1149597167969
[M+K]+
410.64516580898305 ppm
-0.13514946720312082 Da