Spectrum PM003702 for trans-Resveratrol O-glucoside

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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
390.13
InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
HSTZMXCBWJGKHG-CUYWLFDKSA-N
C20H22O8
390.131467664
OC1=CC=C(C=C1)C=CC=2C=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C2

Mass Spectral Metadata

NameValue
PM003702
Pussa T, Floren J, Kuldkepp P, & Raal A
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3CN/HCOOH
QIT
XCT
100%
ESI
negative
Vitis vinifera
[M-H]-
MS2
0.49849773330593866
0.3595901038674334
389
[M-H]-
319.2587763496727 ppm
-0.12419166400002268 Da