CID 5484238

Orlandin

Structural Information

Molecular Formula
C22H18O8
SMILES
CC1=CC(=C(C2=C1C(=CC(=O)O2)OC)C3=C(C=C(C4=C3OC(=O)C=C4OC)C)O)O
InChI
InChI=1S/C22H18O8/c1-9-5-11(23)19(21-17(9)13(27-3)7-15(25)29-21)20-12(24)6-10(2)18-14(28-4)8-16(26)30-22(18)20/h5-8,23-24H,1-4H3
InChIKey
SSGXAFNGBRRLQM-UHFFFAOYSA-N
Compound name
7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-8-yl)-4-methoxy-5-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

77
Patents

410.10016 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.10744 194.2
[M+Na]+ 433.08938 212.7
[M+NH4]+ 428.13398 200.0
[M+K]+ 449.06332 206.8
[M-H]- 409.09288 200.7
[M+Na-2H]- 431.07483 199.0
[M]+ 410.09961 199.0
[M]- 410.10071 199.0
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