CID 353479

Matsutakeside i

Structural Information

Molecular Formula
C30H36O14
SMILES
COC1=CC(=CC2=C1OC(=C2)C3=CC4=C(C=C3)OCO4)CCCOC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O
InChI
InChI=1S/C30H36O14/c1-37-21-8-14(7-16-10-19(43-28(16)21)15-4-5-18-20(9-15)42-13-41-18)3-2-6-38-30-27(36)25(34)24(33)22(44-30)12-40-29-26(35)23(32)17(31)11-39-29/h4-5,7-10,17,22-27,29-36H,2-3,6,11-13H2,1H3
InChIKey
JKLGFSBPEZTFTQ-UHFFFAOYSA-N
Compound name
2-[3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

620.2105 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.21778 249.1
[M+Na]+ 643.19972 251.4
[M-H]- 619.20322 246.2
[M+NH4]+ 638.24432 250.9
[M+K]+ 659.17366 258.2
[M+H-H2O]+ 603.20776 244.4
[M+HCOO]- 665.20870 252.3
[M+CH3COO]- 679.22435 256.0
[M+Na-2H]- 641.18517 264.5
[M]+ 620.20995 257.2
[M]- 620.21105 257.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.