Spectrum VF-NPL-QEHF004046 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
45HCD
MX_C2_170_p04_B06_POS_QEHF_626.raw
13
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.728094369925825
0.783073111802595
428.1703796386719
[M+NH4]+
11.101667827051491 ppm
-0.004753405328131066 Da