Spectrum VF-NPL-QEHF005079 for Hymecromone

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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/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
C10H8O3
176.04734411599998
O=C1OC=2C=C(O)C=CC2C(=C1)C
HSHNITRMYYLLCV-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_C2_294_p13_B02_NEG_QEHF_1300.raw
11
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.1797003456630035
0.4464035978155015
175.0400695800781
[M-H]-
0.008364245477135093 ppm
1.4640781103025802E-6 Da