CID 616063

(rac)-byakangelicin

Structural Information

Molecular Formula
C17H18O7
SMILES
CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O
InChI
InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3
InChIKey
PKRPFNXROFUNDE-UHFFFAOYSA-N
Compound name
9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

26
References

222
Patents

334.10526 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11254 172.7
[M+Na]+ 357.09448 182.5
[M-H]- 333.09798 178.2
[M+NH4]+ 352.13908 186.8
[M+K]+ 373.06842 182.7
[M+H-H2O]+ 317.10252 167.5
[M+HCOO]- 379.10346 190.2
[M+CH3COO]- 393.11911 206.2
[M+Na-2H]- 355.07993 179.6
[M]+ 334.10471 182.7
[M]- 334.10581 182.7
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