CID 440835

Leucodelphidin

Structural Information

Molecular Formula
C15H14O8
SMILES
C1=C(C=C(C(=C1O)O)O)[C@@H]2[C@H]([C@H](C3=C(C=C(C=C3O2)O)O)O)O
InChI
InChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H/t13-,14-,15+/m0/s1
InChIKey
ZEACOKJOQLAYTD-SOUVJXGZSA-N
Compound name
(2R,3S,4S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

1293
Patents

322.06888 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07616 169.6
[M+Na]+ 345.05810 178.0
[M-H]- 321.06160 170.3
[M+NH4]+ 340.10270 179.4
[M+K]+ 361.03204 175.2
[M+H-H2O]+ 305.06614 163.3
[M+HCOO]- 367.06708 180.0
[M+CH3COO]- 381.08273 197.3
[M+Na-2H]- 343.04355 170.9
[M]+ 322.06833 168.2
[M]- 322.06943 168.2
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