Spectrum VF-NPL-QEHF015247 for Isorhamnetin 3-galactoside

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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/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3
C22H22O12
478.11112614399997
O=C1C(OC2OC(CO)C(O)C(O)C2O)=C(OC=3C=C(O)C=C(O)C13)C=4C=CC(O)=C(OC)C4
CQLRUIIRRZYHHS-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
25HCD
MX_C6_27_p21_H03_NEG_QEHF_248.raw
23
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
1.7919810701074035
0.3047310633664555
477.1038513183594
[M-H]-
0.0024614334888249873 ppm
1.1743593972823874E-6 Da