CID 9842429

Vermixocin a

Structural Information

Molecular Formula
C21H24O6
SMILES
CC1=CC2=C(C(=C1)O)OC3=C(C(=C(C=C3)C(CC(C)C)O)OC)C(=O)OC2
InChI
InChI=1S/C21H24O6/c1-11(2)7-15(22)14-5-6-17-18(20(14)25-4)21(24)26-10-13-8-12(3)9-16(23)19(13)27-17/h5-6,8-9,11,15,22-23H,7,10H2,1-4H3
InChIKey
UOWGLBYIKHMCIS-UHFFFAOYSA-N
Compound name
6-hydroxy-2-(1-hydroxy-3-methylbutyl)-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

68
Patents

372.1573 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16458 181.4
[M+Na]+ 395.14652 186.3
[M-H]- 371.15002 183.5
[M+NH4]+ 390.19112 186.3
[M+K]+ 411.12046 186.7
[M+H-H2O]+ 355.15456 176.9
[M+HCOO]- 417.15550 186.6
[M+CH3COO]- 431.17115 237.8
[M+Na-2H]- 393.13197 178.9
[M]+ 372.15675 183.4
[M]- 372.15785 183.4
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.