CID 10089214

Epierythrostominol

Structural Information

Molecular Formula
C17H18O8
SMILES
CC(C[C@H]1C[C@@H](C2=C(C3=C(C(=C2O1)O)C(=O)C(=CC3=O)OC)O)O)O
InChI
InChI=1S/C17H18O8/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/h5-8,18-19,22-23H,3-4H2,1-2H3/t6?,7-,8-/m0/s1
InChIKey
ZCGCJXOIYGMTSC-ALKRTJFJSA-N
Compound name
(2S,4S)-4,5,10-trihydroxy-2-(2-hydroxypropyl)-8-methoxy-3,4-dihydro-2H-benzo[g]chromene-6,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

350.10016 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.10744 176.6
[M+Na]+ 373.08938 187.0
[M+NH4]+ 368.13398 181.1
[M+K]+ 389.06332 184.7
[M-H]- 349.09288 176.6
[M+Na-2H]- 371.07483 174.9
[M]+ 350.09961 177.7
[M]- 350.10071 177.7
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