CID 10316935

Artoindonesianin p

Structural Information

Molecular Formula
C20H16O7
SMILES
CC1(C2CC3=C(C4=C2C(=C(C=C4O)O)O1)OC5=CC(=CC(=C5C3=O)O)O)C
InChI
InChI=1S/C20H16O7/c1-20(2)9-5-8-17(25)15-10(22)3-7(21)4-13(15)26-18(8)16-11(23)6-12(24)19(27-20)14(9)16/h3-4,6,9,21-24H,5H2,1-2H3
InChIKey
SISHCMQQUDFHIG-UHFFFAOYSA-N
Compound name
6,8,17,19-tetrahydroxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2(11),4,6,8,16,18-heptaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

43
Patents

368.0896 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.09688 181.5
[M+Na]+ 391.07882 193.6
[M-H]- 367.08232 186.2
[M+NH4]+ 386.12342 197.5
[M+K]+ 407.05276 191.0
[M+H-H2O]+ 351.08686 176.0
[M+HCOO]- 413.08780 191.8
[M+CH3COO]- 427.10345 192.4
[M+Na-2H]- 389.06427 186.8
[M]+ 368.08905 187.8
[M]- 368.09015 187.8
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