Spectrum CCMSLIB00000081730 for Velutin

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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
25739-41-7
InChI=1S/C17H14O6/c1-21-10-6-12(19)17-13(20)8-14(23-16(17)7-10)9-3-4-11(18)15(5-9)22-2/h3-8,18-19H,1-2H3
C17H14O6
314.07903816799995
O=C1C=C(OC=2C=C(OC)C=C(O)C12)C=3C=CC(O)=C(OC)C3
ROCUOVBWAWAQFD-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Isolated
qTof
314.079
1
gnps_Velutin_neg.mgf
MS2
GNPS-LIBRARY
rsilva, Denise Silva, Norberto Lopes
negative
0.9702114817565077
0.8831245488185215
313.07
[M-H]-
5.628670904176839 ppm
-0.001762167999970643 Da