Spectrum PM003714 for Resveratrol dimer

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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
454.14
InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m1/s1
FQWLMRXWKZGLFI-YVYUXZJTSA-N
C28H22O6
454.141638424
OC1=CC=C(C=C1)C=CC=2C=C(O)C=C3OC(C4=CC=C(O)C=C4)C(C=5C=C(O)C=C(O)C5)C32

Mass Spectral Metadata

NameValue
PM003714
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
1.4041313264448294
0.7836606143623577
453
[M-H]-
296.6057924945182 ppm
-0.13436242400001674 Da