Spectrum VF-NPL-QEHF001517 for violaceol-II

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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/C14H14O5/c1-7-4-10(16)14(11(17)5-7)19-12-6-8(2)3-9(15)13(12)18/h3-6,15-18H,1-2H3
C14H14O5
262.084123548
OC=1C=C(C=C(OC2=C(O)C=C(C=C2O)C)C1O)C
SXPZFHCIUAADLD-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_C1_435_p9_C02_NEG_QEHF_197.raw
18
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
1.8788126927916042
0.3587956681517827
261.0768432617188
[M-H]-
0.01641769958944181 ppm
-4.2862811824306846E-6 Da