CID 44258233

Torosaflavone c

Structural Information

Molecular Formula
C22H16O8
SMILES
CC1=C(C(=O)[C@H]2[C@@H]1C3=C(O2)C=C4C(=C3O)C(=O)C=C(O4)C5=CC(=C(C=C5)OC)O)O
InChI
InChI=1S/C22H16O8/c1-8-16-18-15(30-22(16)21(27)19(8)25)7-14-17(20(18)26)11(24)6-13(29-14)9-3-4-12(28-2)10(23)5-9/h3-7,16,22-23,25-26H,1-2H3/t16-,22+/m0/s1
InChIKey
JQIASYPXXAIEFJ-KSFYIVLOSA-N
Compound name
(11S,15R)-9,13-dihydroxy-5-(3-hydroxy-4-methoxyphenyl)-12-methyl-4,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,5,8,12-pentaene-7,14-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.0845 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.09178 190.2
[M+Na]+ 431.07372 202.3
[M-H]- 407.07722 199.9
[M+NH4]+ 426.11832 203.7
[M+K]+ 447.04766 200.2
[M+H-H2O]+ 391.08176 185.9
[M+HCOO]- 453.08270 205.8
[M+CH3COO]- 467.09835 201.9
[M+Na-2H]- 429.05917 190.6
[M]+ 408.08395 198.7
[M]- 408.08505 198.7
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.