CID 3074517

Fluostatin b

Structural Information

Molecular Formula
C18H14O6
SMILES
CC1C(C(C2=C3C(=C(C=C2C1=O)O)C4=C(C3=O)C=CC=C4O)O)O
InChI
InChI=1S/C18H14O6/c1-6-15(21)8-5-10(20)13-11-7(3-2-4-9(11)19)17(23)14(13)12(8)18(24)16(6)22/h2-6,16,18-20,22,24H,1H3
InChIKey
PLKATXVLQJQTSA-UHFFFAOYSA-N
Compound name
1,2,6,7-tetrahydroxy-3-methyl-2,3-dihydro-1H-benzo[a]fluorene-4,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

73
Patents

326.07904 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08632 170.1
[M+Na]+ 349.06826 181.1
[M-H]- 325.07176 172.8
[M+NH4]+ 344.11286 187.3
[M+K]+ 365.04220 175.7
[M+H-H2O]+ 309.07630 165.7
[M+HCOO]- 371.07724 183.6
[M+CH3COO]- 385.09289 206.2
[M+Na-2H]- 347.05371 171.1
[M]+ 326.07849 171.2
[M]- 326.07959 171.2
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