Spectrum VF-NPL-QEHF011087 for Salidroside

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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/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1
C14H20O7
300.12090298
OC1=CC=C(C=C1)CCOC2OC(CO)C(O)C(O)C2O
ILRCGYURZSFMEG-RKQHYHRCSA-N

Mass Spectral Metadata

NameValue
45HCD
NP_C2_135_p2_E06_POS_QEHF_2116.raw
19
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.7268691860987673
0.49038397934692923
318.1547241210938
[M+NH4]+
14.957687393599473 ppm
-0.004758858906200203 Da