CID 131752604

Peumoside

Structural Information

Molecular Formula
C27H30O15
SMILES
CC1C(C(C(C(O1)OC2=C(C=CC(=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)OC)O)OC5C(C(C(CO5)O)O)O)O)O)O)O
InChI
InChI=1S/C27H30O15/c1-9-18(31)21(34)23(36)27(39-9)41-15-5-10(3-4-12(15)28)24-25(42-26-22(35)19(32)14(30)8-38-26)20(33)17-13(29)6-11(37-2)7-16(17)40-24/h3-7,9,14,18-19,21-23,26-32,34-36H,8H2,1-2H3
InChIKey
LFJUOZMJVFOFOV-UHFFFAOYSA-N
Compound name
5-hydroxy-2-[4-hydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]-7-methoxy-3-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.15845 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.16573 233.7
[M+Na]+ 617.14767 234.3
[M+NH4]+ 612.19227 233.5
[M+K]+ 633.12161 240.0
[M-H]- 593.15117 227.1
[M+Na-2H]- 615.13312 252.6
[M]+ 594.15790 231.5
[M]- 594.15900 231.5
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.