Spectrum CCMSLIB00000847848 for NCGC00163663-02!

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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/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3
C23H28O6
400.188588616
O(C1=CC2=C(C(OC)=C1OC)C3=C(OC)C=4OCOC4C=C3CC(C)C(C)C2)C
RTZKSTLPRTWFEV-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
400.189
1
positive
C6_BC6_01_2850.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
4.744436640243336
0.7527722457127581
401.196
[M+H]+
1.3923767933328692 ppm
-5.586159999779738E-4 Da