CID 42608001

Sigmoidin g

Structural Information

Molecular Formula
C20H20O8
SMILES
CC1(C(C(C2=C(O1)C(=CC(=C2)C3CC(=O)C4=C(C=C(C=C4O3)O)O)O)O)O)C
InChI
InChI=1S/C20H20O8/c1-20(2)19(26)17(25)10-3-8(4-13(24)18(10)28-20)14-7-12(23)16-11(22)5-9(21)6-15(16)27-14/h3-6,14,17,19,21-22,24-26H,7H2,1-2H3
InChIKey
UHWLHTOOVRRTDW-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(3,4,8-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1158 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12308 189.6
[M+Na]+ 411.10502 198.3
[M-H]- 387.10852 193.9
[M+NH4]+ 406.14962 199.6
[M+K]+ 427.07896 196.9
[M+H-H2O]+ 371.11306 182.4
[M+HCOO]- 433.11400 197.1
[M+CH3COO]- 447.12965 215.9
[M+Na-2H]- 409.09047 191.9
[M]+ 388.11525 190.3
[M]- 388.11635 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.