Spectrum PM010405 for Kaempferol 3-O-robinoside

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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
594.16
InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18-,20+,21-,22+,23+,26+,27-/m0/s1
RTATXGUCZHCSNG-KYGWAIEOSA-N
C27H30O15
594.15847026
O=C1C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)=C(OC=4C=C(O)C=C(O)C14)C=5C=CC(O)=CC5

Mass Spectral Metadata

NameValue
PM010405
Truchado P, Ferreres F, Bortolotti L, Sabatini AG, & Tomas-Barberan FA
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3OH/CH3COOH
QIT
G2445A
0.3->2V
ESI
negative
Robinia pseudoacacia
[M-H]-
MS2
0.0
NaN
593
[M-H]-
254.96502529493668 ppm
-0.15119425999989744 Da