Spectrum VF-NPL-QEHF003415 for SPECTINOMYCIN

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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/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
C14H24N2O7
332.158351108
O=C1CC(OC2OC3C(O)C(NC)C(O)C(NC)C3OC12O)C
UNFWWIHTNXNPBV-WXKVUWSESA-N

Mass Spectral Metadata

NameValue
35HCD
NP_C1_83_p9_C08_NEG_QEHF_228.raw
18
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
331.1510925292969
2.966523998599961
0.5104890764456204
[M-H]-
0.05260830261975049 ppm
1.7421296888642246E-5 Da