CID 5481958

Mulberrin

Structural Information

Molecular Formula
C25H26O6
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)C
InChI
InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
InChIKey
UWQYBLOHTQWSQD-UHFFFAOYSA-N
Compound name
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

380
Patents

422.17294 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18022 203.6
[M+Na]+ 445.16216 216.9
[M+NH4]+ 440.20676 207.6
[M+K]+ 461.13610 211.6
[M-H]- 421.16566 206.2
[M+Na-2H]- 443.14761 205.4
[M]+ 422.17239 206.1
[M]- 422.17349 206.1
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