CID 13988324

Zeanoside c

Structural Information

Molecular Formula
C16H19NO10
SMILES
C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C2(CC(=O)O)O
InChI
InChI=1S/C16H19NO10/c18-5-8-11(21)12(22)13(23)14(27-8)26-7-3-1-2-6-10(7)17-15(24)16(6,25)4-9(19)20/h1-3,8,11-14,18,21-23,25H,4-5H2,(H,17,24)(H,19,20)
InChIKey
VNIXZLMYLWKZLU-UHFFFAOYSA-N
Compound name
2-[3-hydroxy-2-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

385.1009 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.10818 181.6
[M+Na]+ 408.09012 187.0
[M-H]- 384.09362 179.8
[M+NH4]+ 403.13472 190.4
[M+K]+ 424.06406 185.2
[M+H-H2O]+ 368.09816 176.7
[M+HCOO]- 430.09910 187.9
[M+CH3COO]- 444.11475 206.5
[M+Na-2H]- 406.07557 180.5
[M]+ 385.10035 180.0
[M]- 385.10145 180.0
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.