CID 131512

Be 12406a

Structural Information

Molecular Formula
C25H24O9
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C3C(=C4C(=C2)C5=C(C=C(C=C5OC)C)C(=O)O4)C=CC=C3O)O)O)O
InChI
InChI=1S/C25H24O9/c1-10-7-14-18(16(8-10)31-3)13-9-17(33-25-22(29)21(28)20(27)11(2)32-25)19-12(5-4-6-15(19)26)23(13)34-24(14)30/h4-9,11,20-22,25-29H,1-3H3/t11-,20-,21+,22+,25-/m0/s1
InChIKey
FBBYGEDAGNDLMC-XNDKCNAWSA-N
Compound name
1-hydroxy-10-methoxy-8-methyl-12-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynaphtho[1,2-c]isochromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

468.14203 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.14931 210.9
[M+Na]+ 491.13125 226.5
[M+NH4]+ 486.17585 216.2
[M+K]+ 507.10519 221.3
[M-H]- 467.13475 216.8
[M+Na-2H]- 489.11670 211.8
[M]+ 468.14148 214.9
[M]- 468.14258 214.9
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