Spectrum VF-NPL-QTOF007842 for Ginkgolide A

Rating: (*)★(*)★(*)★(*)★(*)☆
  • 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
FPUXKXIZEIDQKW-UHFFFAOYSA-N
C20H24O9
408.142032348
O=C1OC2OC34C(=O)OC5CC(C(C)(C)C)C2(C1O)C54CC6OC(=O)C(C)C63O
InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
10 V
NP_C2_171
2.9865 minutes
0.9860864307324597
0.4742073345018727
426.1749
[M+NH4]+
13.403764510841436 ppm
-0.0057123480000313975 Da