CID 131752225

Isorhamnetin 3-o-[b-l-rhamnofuranosyl-(1->6)-d-glucopyranoside]

Structural Information

Molecular Formula
C28H32O16
SMILES
CC(C1C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O
InChI
InChI=1S/C28H32O16/c1-9(29)24-21(36)23(38)27(43-24)40-8-16-18(33)20(35)22(37)28(42-16)44-26-19(34)17-13(32)6-11(30)7-15(17)41-25(26)10-3-4-12(31)14(5-10)39-2/h3-7,9,16,18,20-24,27-33,35-38H,8H2,1-2H3
InChIKey
SZYQOTOTXRKGQZ-UHFFFAOYSA-N
Compound name
3-[6-[[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

624.169 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.17628 238.2
[M+Na]+ 647.15822 239.7
[M+NH4]+ 642.20282 238.5
[M+K]+ 663.13216 244.4
[M-H]- 623.16172 232.3
[M+Na-2H]- 645.14367 254.4
[M]+ 624.16845 236.7
[M]- 624.16955 236.7
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.