CID 14825317

Semiviriditoxin

Structural Information

Molecular Formula
C17H16O7
SMILES
COC1=CC(=C2C(=C1)C=C3C[C@H](OC(=O)C3=C2O)CC(=O)OC)O
InChI
InChI=1S/C17H16O7/c1-22-10-4-8-3-9-5-11(7-13(19)23-2)24-17(21)15(9)16(20)14(8)12(18)6-10/h3-4,6,11,18,20H,5,7H2,1-2H3/t11-/m0/s1
InChIKey
CVDVPYTVGZWTON-NSHDSACASA-N
Compound name
methyl 2-[(3S)-9,10-dihydroxy-7-methoxy-1-oxo-3,4-dihydrobenzo[g]isochromen-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.0896 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.09688 172.2
[M+Na]+ 355.07882 184.5
[M+NH4]+ 350.12342 178.1
[M+K]+ 371.05276 180.4
[M-H]- 331.08232 173.9
[M+Na-2H]- 353.06427 173.5
[M]+ 332.08905 174.2
[M]- 332.09015 174.2
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

No patent data available for this compound.