Spectrum VF-NPL-QEHF004042 for tephrosin

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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/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23-/m1/s1
C23H22O7
410.136553044
O=C1C2=CC=C3OC(C=CC3=C2OC4COC5=CC(OC)=C(OC)C=C5C14O)(C)C
AQBZCCQCDWNNJQ-AUSIDOKSSA-N

Mass Spectral Metadata

NameValue
35HCD
MX_C2_170_p04_B06_POS_QEHF_624.raw
15
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.322356440532329
0.6874131151609613
449.0997009277344
[M+K]+
300.94011638486694 ppm
-0.1351521162656013 Da