Spectrum VF-NPL-QTOF002693 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
GLMWHQIFJIURES-UHFFFAOYSA-N
C17H14O8
346.06886740799996
O=C1C=C(OC=2C(OC)=C(O)C(OC)=C(O)C12)C=3C=CC(O)=C(O)C3
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

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
10 V
MX_C4_58
3.7387 minutes
3.328361281507946
0.8508030951989962
369.057
[M+Na]+
4.436734704842436 ppm
-0.0016374079999650348 Da