CID 5320644

Podocarpusflavone a

Structural Information

Molecular Formula
C31H20O10
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
InChI
InChI=1S/C31H20O10/c1-39-17-5-2-14(3-6-17)25-13-24(38)30-22(36)11-21(35)28(31(30)41-25)18-8-15(4-7-19(18)33)26-12-23(37)29-20(34)9-16(32)10-27(29)40-26/h2-13,32-36H,1H3
InChIKey
RBTRUVNXLDXHBJ-UHFFFAOYSA-N
Compound name
8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

41
Patents

552.10565 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.11293 234.8
[M+Na]+ 575.09487 245.0
[M-H]- 551.09837 246.7
[M+NH4]+ 570.13947 234.8
[M+K]+ 591.06881 244.4
[M+H-H2O]+ 535.10291 221.2
[M+HCOO]- 597.10385 247.0
[M+CH3COO]- 611.11950 241.8
[M+Na-2H]- 573.08032 235.9
[M]+ 552.10510 242.3
[M]- 552.10620 242.3
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