CID 131752765

Pisumionoside

Structural Information

Molecular Formula
C19H32O9
SMILES
CC(=O)/C=C/C1(C(CC(CC1(C)O)OC2C(C(C(C(O2)CO)O)O)O)(C)C)O
InChI
InChI=1S/C19H32O9/c1-10(21)5-6-19(26)17(2,3)7-11(8-18(19,4)25)27-16-15(24)14(23)13(22)12(9-20)28-16/h5-6,11-16,20,22-26H,7-9H2,1-4H3/b6-5+
InChIKey
PASRVRCWYGWSDQ-AATRIKPKSA-N
Compound name
(E)-4-[1,2-dihydroxy-2,6,6-trimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

404.20462 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.21190 187.9
[M+Na]+ 427.19384 192.4
[M+NH4]+ 422.23844 193.3
[M+K]+ 443.16778 187.3
[M-H]- 403.19734 185.7
[M+Na-2H]- 425.17929 188.6
[M]+ 404.20407 187.6
[M]- 404.20517 187.6
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.