CID 34687

Altenuene

Structural Information

Molecular Formula
C15H16O6
SMILES
C[C@]12C[C@@H]([C@H](C=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O)O
InChI
InChI=1S/C15H16O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-5,10,12,16-18H,6H2,1-2H3/t10-,12-,15-/m0/s1
InChIKey
MMHTXEATDNFMMY-WBIUFABUSA-N
Compound name
(2S,3S,4aS)-2,3,7-trihydroxy-9-methoxy-4a-methyl-3,4-dihydro-2H-benzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

41
References

39
Patents

292.0947 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.101976 161.8
[M+Na]+ 315.083918 171.3
[M-H]- 291.087424 164.7
[M+NH4]+ 310.128523 178.8
[M+K]+ 331.057858 169.3
[M+H-H2O]+ 275.091960 156.4
[M+HCOO]- 337.092901 175.2
[M+CH3COO]- 351.108551 198.0
[M+Na-2H]- 313.069366 167.4
[M]+ 292.09415142 163.3
[M]- 292.09524858 163.3
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