Spectrum CCMSLIB00000853517 for NCGC00380728-01_C26H34O7_

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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
n/a
n/a
InChI=1S/C26H34O7/c1-13-12-15-22(4,10-8-14-21(2,3)16-9-11-25(14,15)19(29)33-16)26(20(30)32-7)18(28)24(6,31)17(27)23(13,26)5/h12,14-16,31H,8-11H2,1-7H3
C26H34O7
458.230453428
O=C(OC)C12C(=O)C(O)(C(=O)C2(C(=CC3C45C(=O)OC(CC4)C(C)(C)C5CCC31C)C)C)C
UPJBUABBBFMLGN-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
458.23
1
positive
G2_RG2_01_7977.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
4.761910189052746
0.9622431264671555
459.238
[M+H]+
0.9220230032715307 ppm
-4.2342799997641123E-4 Da