CID 486612

Matairesinoside

Structural Information

Molecular Formula
C26H32O11
SMILES
COC1=C(C=CC(=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O
InChI
InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1
InChIKey
AAGCATAPYOEULE-LHHMAMHXSA-N
Compound name
(3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

162
Patents

520.19446 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.20174 219.8
[M+Na]+ 543.18368 222.8
[M-H]- 519.18718 227.7
[M+NH4]+ 538.22828 221.2
[M+K]+ 559.15762 223.2
[M+H-H2O]+ 503.19172 211.2
[M+HCOO]- 565.19266 228.4
[M+CH3COO]- 579.20831 239.3
[M+Na-2H]- 541.16913 213.6
[M]+ 520.19391 223.2
[M]- 520.19501 223.2
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.