CID 14033997

(r)-apiumetin glucoside

Structural Information

Molecular Formula
C20H22O9
SMILES
CC(=C)C1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C20H22O9/c1-8(2)11-6-10-5-9-3-4-13(22)28-17(9)19(18(10)26-11)29-20-16(25)15(24)14(23)12(7-21)27-20/h3-5,11-12,14-16,20-21,23-25H,1,6-7H2,2H3
InChIKey
VPAPSBNFWBXZLU-UHFFFAOYSA-N
Compound name
2-prop-1-en-2-yl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

406.12637 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.133646 191.4
[M+Na]+ 429.115588 198.1
[M-H]- 405.119094 197.1
[M+NH4]+ 424.160193 199.4
[M+K]+ 445.089528 198.2
[M+H-H2O]+ 389.123630 185.7
[M+HCOO]- 451.124571 199.7
[M+CH3COO]- 465.140221 219.9
[M+Na-2H]- 427.101036 190.7
[M]+ 406.12582142 194.4
[M]- 406.12691858 194.4
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.