Spectrum CCMSLIB00004678864 for kampferol-7-O-hexosyl(1-2)deoxyhexoside

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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/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3
C27H30O15
594.1584702600001
O=C1C(O)=C(OC2=CC(OC3OC(CO)C(O)C(O)C3OC4OC(C)C(O)C(O)C4O)=CC(O)=C12)C=5C=CC(O)=CC5
ZEJXENDZTYVXDP-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Crude
qTof
0.0
1
f.faustocn/Chrysobalanaceae/NEG/negativo 15eV/34m-15.mzXML;
MS2
GNPS-LIBRARY
faustocn, NPLopes
negative
3.4088587699682584
0.43396443475489593
593.122
[M-H]-
49.22134063490121 ppm
-0.029194260000053873 Da