Spectrum CCMSLIB00005722172 for NCGC00169993-02!2,5,8-trihydroxy-6-methoxy-2-methyl-3H-benzo[g]chromen-4-one [IIN-based on: CCMSLIB00000847293]

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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
InChI=1S/C15H14O6/c1-15(19)6-9(17)13-11(21-15)4-7-3-8(16)5-10(20-2)12(7)14(13)18/h3-5,16,18-19H,6H2,1-2H3
C15H14O6
290.07903816799995
O=C1C2=C(O)C=3C(OC)=CC(O)=CC3C=C2OC(O)(C)C1
FKCYENFBFZUSDP-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
MS2
LC-ESI
Commercial
Orbitrap
290.079
1
MSV0000083472_NIH_NP_QE_Pos2_0i1min_r80_mergeMSMS.mgf
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
Pieter Dorrestein, mpanitchpakdi, lfnothias/robinschmid
positive
0.27924178679748995
0.2541768280564434
603.148
[2M+Na]+
0.2547699736963024 ppm
1.5366400009497738E-4 Da