CID 10407286

Anastatin b

Structural Information

Molecular Formula
C21H14O7
SMILES
C1[C@H](OC2=C(C1=O)C(=CC3=C2C4=CC(=C(C=C4O3)O)O)O)C5=CC=C(C=C5)O
InChI
InChI=1S/C21H14O7/c22-10-3-1-9(2-4-10)16-7-14(25)20-15(26)8-18-19(21(20)28-16)11-5-12(23)13(24)6-17(11)27-18/h1-6,8,16,22-24,26H,7H2/t16-/m0/s1
InChIKey
ZXWMKYBQWBZFAK-INIZCTEOSA-N
Compound name
(2S)-5,9,10-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-[1]benzofuro[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

378.07394 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.08122 182.8
[M+Na]+ 401.06316 193.7
[M-H]- 377.06666 190.4
[M+NH4]+ 396.10776 194.6
[M+K]+ 417.03710 190.8
[M+H-H2O]+ 361.07120 176.2
[M+HCOO]- 423.07214 196.2
[M+CH3COO]- 437.08779 193.6
[M+Na-2H]- 399.04861 186.8
[M]+ 378.07339 186.9
[M]- 378.07449 186.9
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

No patent data available for this compound.