CID 72277

(-)-epigallocatechin

Structural Information

Molecular Formula
C15H14O7
SMILES
C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
InChI
InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1
InChIKey
XMOCLSLCDHWDHP-IUODEOHRSA-N
Compound name
(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1124
References

30194
Patents

306.07394 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08122 166.1
[M+Na]+ 329.06316 174.4
[M-H]- 305.06666 167.8
[M+NH4]+ 324.10776 177.2
[M+K]+ 345.03710 171.3
[M+H-H2O]+ 289.07120 159.7
[M+HCOO]- 351.07214 178.0
[M+CH3COO]- 365.08779 194.9
[M+Na-2H]- 327.04861 168.5
[M]+ 306.07339 164.5
[M]- 306.07449 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe