CID 131752199

Pinobanksin 5-[galactosyl-(1->4)-glucoside]

Structural Information

Molecular Formula
C27H32O15
SMILES
C1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C27H32O15/c28-8-14-17(31)19(33)22(36)27(40-14)42-25-15(9-29)41-26(23(37)21(25)35)39-13-7-11(30)6-12-16(13)18(32)20(34)24(38-12)10-4-2-1-3-5-10/h1-7,14-15,17,19-31,33-37H,8-9H2
InChIKey
BEMHMJYMGFZFFQ-UHFFFAOYSA-N
Compound name
5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

596.17413 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.18141 234.8
[M+Na]+ 619.16335 235.0
[M+NH4]+ 614.20795 234.3
[M+K]+ 635.13729 240.7
[M-H]- 595.16685 227.7
[M+Na-2H]- 617.14880 253.2
[M]+ 596.17358 232.4
[M]- 596.17468 232.4
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.