Spectrum PM011388 for Isorhamnetin glucuronide

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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
492.09
InChI=1S/C22H20O13/c1-32-11-4-7(2-3-9(11)24)18-19(14(26)13-10(25)5-8(23)6-12(13)33-18)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-25,27-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1
VVZWHOMBDMMRSC-NTKSAMNMSA-N
C22H20O13
492.09039069999994
O=C(O)C1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=C(OC)C4)C(O)C(O)C1O

Mass Spectral Metadata

NameValue
PM011388
Hanhineva K, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3CN/HCOOH
Q-TOF
QTOF Premier
20V
ESI
positive
Fragaria ananassa
[M+H]+
MS2
1.0986122886681096
0.9999999999999998
492.0904