Spectrum VF-NPL-QEHF002857 for Ursinoic Acid

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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/C15H16O5/c1-15(2)7-6-10-12(19-3)5-4-9(14(10)20-15)11(16)8-13(17)18/h4-7H,8H2,1-3H3,(H,17,18)
C15H16O5
276.099773612
O=C(O)CC(=O)C1=CC=C(OC)C=2C=CC(OC21)(C)C
XUXBOSSCMLZGTA-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35HCD
NP_C1_194_p6_G06_NEG_QEHF_192.raw
14
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.5487524379762903
0.4741619400276554
275.0924987792969
[M-H]-
0.004243288682482518 ppm
1.1672968867060263E-6 Da