CID 44257099

(-)-amurensisin

Structural Information

Molecular Formula
C22H16O10
SMILES
C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C3)O)OC(=O)C5=CC(=C(C(=C54)O)O)O)O
InChI
InChI=1S/C22H16O10/c23-8-3-12(24)9-5-15(27)20(31-16(9)4-8)7-1-10-17-11(6-13(25)18(28)19(17)29)22(30)32-21(10)14(26)2-7/h1-4,6,15,20,23-29H,5H2/t15-,20-/m1/s1
InChIKey
MLLKYCCCVKMSMP-FOIQADDNSA-N
Compound name
4,8,9,10-tetrahydroxy-2-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.07434 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.08162 199.6
[M+Na]+ 463.06356 209.7
[M-H]- 439.06706 203.8
[M+NH4]+ 458.10816 205.0
[M+K]+ 479.03750 208.8
[M+H-H2O]+ 423.07160 190.6
[M+HCOO]- 485.07254 207.0
[M+CH3COO]- 499.08819 207.5
[M+Na-2H]- 461.04901 203.0
[M]+ 440.07379 203.8
[M]- 440.07489 203.8
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

No patent data available for this compound.