Spectrum VF-NPL-QEHF005945 for ginkgolide B

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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
C20H24O10
424.13694696799996
O=C1OC2OC34C(=O)OC5CC(C(C)(C)C)C2(C1O)C54C(O)C6OC(=O)C(C)C63O
InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11+,15+,17?,18-,19-,20-/m1/s1
SQOJOAFXDQDRGF-AFUSRUNCSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_C2_387_p03_A05_POS_QEHF_04.raw
21
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.359246186418287
0.7441611352430457
463.10009765625
[M+K]+
291.83606834450393 ppm
-0.1351493117499558 Da