CID 135659042

Sparstolonin b

Structural Information

Molecular Formula
C15H8O5
SMILES
C1=CC2=C(C=C1O)C3=COC(=C4C3=C(O2)C=CC4=O)O
InChI
InChI=1S/C15H8O5/c16-7-1-3-11-8(5-7)9-6-19-15(18)14-10(17)2-4-12(20-11)13(9)14/h1-6,16,18H
InChIKey
KUPDHLFGNQEASI-UHFFFAOYSA-N
Compound name
4,14-dihydroxy-8,15-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,13-heptaen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

8
Patents

268.03717 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.04445 152.8
[M+Na]+ 291.02639 171.6
[M+NH4]+ 286.07099 161.9
[M+K]+ 307.00033 164.6
[M-H]- 267.02989 158.7
[M+Na-2H]- 289.01184 159.0
[M]+ 268.03662 157.5
[M]- 268.03772 157.5
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

patents stripe