CID 131752941

Methyl helianthenoate f glucoside

Structural Information

Molecular Formula
C17H22O8
SMILES
COC(=O)CCC#CC#C/C=C\COC1C(C(C(C(O1)CO)O)O)O
InChI
InChI=1S/C17H22O8/c1-23-13(19)9-7-5-3-2-4-6-8-10-24-17-16(22)15(21)14(20)12(11-18)25-17/h6,8,12,14-18,20-22H,7,9-11H2,1H3/b8-6-
InChIKey
KMCLOJYUKASTFN-VURMDHGXSA-N
Compound name
methyl (Z)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydec-8-en-4,6-diynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.13147 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.13875 175.2
[M+Na]+ 377.12069 182.8
[M-H]- 353.12419 174.2
[M+NH4]+ 372.16529 181.5
[M+K]+ 393.09463 179.6
[M+H-H2O]+ 337.12873 161.6
[M+HCOO]- 399.12967 178.0
[M+CH3COO]- 413.14532 221.5
[M+Na-2H]- 375.10614 172.1
[M]+ 354.13092 167.9
[M]- 354.13202 167.9
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.