Spectrum CCMSLIB00000851699 for NCGC00381142-01_C15H14O4_1-(2,5-Dihydroxy-2-methyl-2,3-dihydrobenzo[de]chromen-4-yl)ethanone

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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/C15H14O4/c1-8(16)13-10-7-15(2,18)19-12-5-3-4-9(14(10)12)6-11(13)17/h3-6,17-18H,7H2,1-2H3
C15H14O4
258.089208928
O=C(C=1C(O)=CC=2C=CC=C3OC(O)(C)CC1C32)C
JRWJBFDOAUKNJA-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
258.089
1
positive
E10_RE10_01_8035.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.022899185009292
0.7613795788392745
276.123
[M+NH4]+
17.34345925561815 ppm
-0.00478892800003905 Da