Spectrum CCMSLIB00000846066 for NCGC00384769-01!6,8-dihydroxy-2,2,4,4-tetramethyl-5-(2-methylpropanoyl)-9-propan-2-yl-9H-xanthene-1,3-dione

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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/C24H30O6/c1-10(2)14-15-12(25)9-13(26)16(18(27)11(3)4)19(15)30-21-17(14)20(28)23(5,6)22(29)24(21,7)8/h9-11,14,25-26H,1-8H3
C24H30O6
414.20423867999995
O=C(C1=C(O)C=C(O)C2=C1OC3=C(C(=O)C(C(=O)C3(C)C)(C)C)C2C(C)C)C(C)C
AYAUOXWJIWVPSO-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
414.204
1
negative
C2_GC2_01_3305.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE
mwang87, Jadhav/Dorrestein, lfnothias
0.6127354594591604
0.44199520436927564
413.197
[M-H]-
0.0903201137635262 ppm
3.732000004674774E-5 Da