CID 44257425

Stemonal

Structural Information

Molecular Formula
C19H16O8
SMILES
COC1=CC(=C2C(=C1)OC3=C(C2=O)C4=CC(=C(C=C4OC3O)OC)OC)O
InChI
InChI=1S/C19H16O8/c1-23-8-4-10(20)16-14(5-8)26-18-15(17(16)21)9-6-12(24-2)13(25-3)7-11(9)27-19(18)22/h4-7,19-20,22H,1-3H3
InChIKey
INRSYSTZYGIZOF-UHFFFAOYSA-N
Compound name
6,11-dihydroxy-2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

372.0845 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09178 181.2
[M+Na]+ 395.07372 192.4
[M-H]- 371.07722 187.7
[M+NH4]+ 390.11832 193.1
[M+K]+ 411.04766 192.5
[M+H-H2O]+ 355.08176 172.9
[M+HCOO]- 417.08270 196.2
[M+CH3COO]- 431.09835 218.1
[M+Na-2H]- 393.05917 187.8
[M]+ 372.08395 190.9
[M]- 372.08505 190.9
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