Spectrum VF-NPL-QEHF005904 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
65HCD
MX_C2_378_p12_D07_POS_QEHF_1856.raw
13
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.357945451545381
0.7276629699525617
308.1856384277344
[M+NH4]+
15.415242221822652 ppm
-0.00475075626565058 Da