Spectrum CCMSLIB00005723039 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
0.6969410499253668
0.6343830822885619
395.053
[M+K]+
341.4803887072924 ppm
-0.13490285199998198 Da