Spectrum VF-NPL-QEHF014295 for 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-dimethoxychromen-4-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/C17H14O8/c1-23-16-13(21)12-10(20)6-11(7-3-4-8(18)9(19)5-7)25-15(12)17(24-2)14(16)22/h3-6,18-19,21-22H,1-2H3
C17H14O8
346.06886740799996
O=C1C=C(OC=2C(OC)=C(O)C(OC)=C(O)C12)C=3C=CC(O)=C(O)C3
GLMWHQIFJIURES-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_C4_58_p21_A02_NEG_QEHF_110.raw
61
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.003627320983532
0.5865725240082229
345.0615844726562
[M-H]-
0.020098857968217455 ppm
-6.935343776603986E-6 Da