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
2
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]+ 293.10198 161.8
[M+Na]+ 315.08392 171.3
[M-H]- 291.08742 164.7
[M+NH4]+ 310.12852 178.8
[M+K]+ 331.05786 169.3
[M+H-H2O]+ 275.09196 156.4
[M+HCOO]- 337.09290 175.2
[M+CH3COO]- 351.10855 198.0
[M+Na-2H]- 313.06937 167.4
[M]+ 292.09415 163.3
[M]- 292.09525 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.