Spectrum CCMSLIB00005723038 for NCGC00380487-01!7,9-dimethoxy-6-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one [IIN-based on: CCMSLIB00000848673]

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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/C19H16O7/c1-21-11-6-4-10(5-7-11)16-19(23-3)15(20)14-12(26-16)8-13-17(18(14)22-2)25-9-24-13/h4-8H,9H2,1-3H3
C19H16O7
356.089602852
O=C1C(OC)=C(OC=2C=C3OCOC3=C(OC)C21)C=4C=CC(OC)=CC4
LWUQVHKGVXRUPD-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Orbitrap
356.09
1
MSV0000083472_NIH_NP_QE_Pos2_0i1min_r80_mergeMSMS.mgf
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
Pieter Dorrestein, mpanitchpakdi, lfnothias/robinschmid
positive
0.5096110906439574
0.19868271050322261
735.169
[2M+Na]+
0.0330481834684524 ppm
2.4295999992318684E-5 Da