CID 76021799

Isorhamnetin 3-o-[b-d-xylopyranosyl-(1->2)-[a-l-rhamnopyranosyl-(1->6)]-b-d-glucopyranoside]

Structural Information

Molecular Formula
C33H40O20
SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)OC6C(C(C(CO6)O)O)O)O)O)O)O)O
InChI
InChI=1S/C33H40O20/c1-10-20(38)24(42)27(45)31(49-10)48-9-18-22(40)25(43)30(53-32-26(44)21(39)15(37)8-47-32)33(51-18)52-29-23(41)19-14(36)6-12(34)7-17(19)50-28(29)11-3-4-13(35)16(5-11)46-2/h3-7,10,15,18,20-22,24-27,30-40,42-45H,8-9H2,1-2H3
InChIKey
LYHLDPZVLVMMLI-UHFFFAOYSA-N
Compound name
3-[4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-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

756.2113 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 757.21858 259.7
[M+Na]+ 779.20052 260.0
[M+NH4]+ 774.24512 259.9
[M+K]+ 795.17446 267.2
[M-H]- 755.20402 254.0
[M+Na-2H]- 777.18597 281.6
[M]+ 756.21075 258.3
[M]- 756.21185 258.3
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.