CID 85245812

(-)-matairesinol 4'-[apiosyl-(1->2)-glucoside]

Structural Information

Molecular Formula
C31H40O15
SMILES
COC1=C(C=CC(=C1)CC2C(COC2=O)CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)OC5C(C(CO5)(CO)O)O)OC)O
InChI
InChI=1S/C31H40O15/c1-40-21-9-16(3-5-19(21)34)8-18-17(12-42-28(18)38)7-15-4-6-20(22(10-15)41-2)44-29-26(25(36)24(35)23(11-32)45-29)46-30-27(37)31(39,13-33)14-43-30/h3-6,9-10,17-18,23-27,29-30,32-37,39H,7-8,11-14H2,1-2H3
InChIKey
DGVRVIYWXWHLAT-UHFFFAOYSA-N
Compound name
4-[[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

652.2367 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.24398 246.2
[M+Na]+ 675.22592 246.8
[M+NH4]+ 670.27052 245.7
[M+K]+ 691.19986 250.6
[M-H]- 651.22942 239.1
[M+Na-2H]- 673.21137 257.4
[M]+ 652.23615 243.9
[M]- 652.23725 243.9
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.