Spectrum CCMSLIB00005721524 for NCGC00180806-02!9-[[3-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)methyl]oxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one [IIN-based: Match]

Rating: (*)★(*)★(*)★(*)★(*)☆

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/C21H18O7/c1-11-7-14(26-20(11)23)9-21(2)15(28-21)10-25-19-17-13(5-6-24-17)8-12-3-4-16(22)27-18(12)19/h3-8,14-15H,9-10H2,1-2H3
C21H18O7
382.105252916
O=C1OC2=C(OCC3OC3(C)CC4OC(=O)C(=C4)C)C=5OC=CC5C=C2C=C1
CISFAPDYRQPRCZ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
382.105
1
20200308_MSV000080492_NIH_Part1_TOF_Pos_IIN_robin_exportMerged_0i04min_200noise_mergeMSMSsum.mgf
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
Pieter Dorrestein, mpanitchpakdi, lfnothias/robinschmid
positive
3.29101515764257
0.8645408324185678
400.138
[M+NH4]+
14.577260845086492 ppm
-0.005832916000031219 Da