Spectrum CCMSLIB00000839970 for Nonactin

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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
6833-84-7
C40H64O12
736.4397774879999
O=C1OC(C)CC2OC(CC2)C(C(=O)OC(C)CC3OC(CC3)C(C(=O)OC(C)CC4OC(CC4)C(C(=O)OC(C)CC5OC(CC5)C1C)C)C)C
InChI=1S/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21/h21-36H,9-20H2,1-8H3
RMIXHJPMNBXMBU-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Crude
qTof
0.0
1
f.chenliangyu/B2-2separate/2/SH11/B2-2LEA-H8.mzXML;
MS2
GNPS-LIBRARY
chenliangyu, Dorrestein, Liangyu Chen
positive
1.407409659892144
0.5487085566808307
736.9
[M+Na]+
30573.41225132302 ppm
-22.529547487999935 Da