CID 179473

Erythrostominone

Structural Information

Molecular Formula
C17H16O8
SMILES
CC(=O)C[C@H]1C[C@@H](C2=C(C3=C(C(=C2O1)O)C(=O)C(=CC3=O)OC)O)O
InChI
InChI=1S/C17H16O8/c1-6(18)3-7-4-8(19)12-15(22)11-9(20)5-10(24-2)14(21)13(11)16(23)17(12)25-7/h5,7-8,19,22-23H,3-4H2,1-2H3/t7-,8-/m0/s1
InChIKey
XCCPWOLOVUKRKJ-YUMQZZPRSA-N
Compound name
(2R,4S)-4,5,10-trihydroxy-8-methoxy-2-(2-oxopropyl)-3,4-dihydro-2H-benzo[g]chromene-6,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.0845 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.09178 175.1
[M+Na]+ 371.07372 186.1
[M+NH4]+ 366.11832 179.6
[M+K]+ 387.04766 183.4
[M-H]- 347.07722 175.3
[M+Na-2H]- 369.05917 173.9
[M]+ 348.08395 176.3
[M]- 348.08505 176.3
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