Spectrum VF-NPL-QEHF005896 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_1852.raw
12
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.807728818566303
0.6267509371616763
313.1410217285156
[M+Na]+
1.780205868015431 ppm
-5.574554843974511E-4 Da