Spectrum VF-NPL-QEHF004567 for Aphidicolin

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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/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1
C20H34O4
338.245709568
OCC1(O)CCC23CC1CC3CCC4C(C)(CO)C(O)CCC42C
NOFOAYPPHIUXJR-APNQCZIXSA-N

Mass Spectral Metadata

NameValue
negative
35HCD
MX_C2_221_p17_H09_NEG_QEHF_960.raw
10
MS2
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
direct injection
3.4379798499236895
0.6067280208771094
337.2384338378906
[M-H]-
8.002961495326203E-4 ppm
2.698906200748752E-7 Da