Spectrum VF-NPL-QEHF001524 for (3Z,5E)-4-hydroxy-6-(4-hydroxyphenyl)hexa-3,5-dien-2-one

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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/C12H12O3/c1-9(13)8-12(15)7-4-10-2-5-11(14)6-3-10/h2-8,14-15H,1H3/b7-4+,12-8-
C12H12O3
204.078644244
O=C(C=C(O)C=CC1=CC=C(O)C=C1)C
IWINXMWZYVGFKC-JHLWKMQHSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_C1_436_p15_C08_POS_QEHF_199.raw
9
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.3377925978542
0.7499868099586869
243.0417938232422
[M+K]+
556.0789304250344 ppm
-0.13515042075781025 Da