CID 12310757

Wushanicaritin

Structural Information

Molecular Formula
C21H22O7
SMILES
CC(C)(CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)O
InChI
InChI=1S/C21H22O7/c1-21(2,26)9-8-13-14(22)10-15(23)16-17(24)18(25)19(28-20(13)16)11-4-6-12(27-3)7-5-11/h4-7,10,22-23,25-26H,8-9H2,1-3H3
InChIKey
VAYWXTLNNGACLF-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

55
References

49
Patents

386.13657 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.14385 190.3
[M+Na]+ 409.12579 199.1
[M-H]- 385.12929 194.6
[M+NH4]+ 404.17039 199.5
[M+K]+ 425.09973 196.4
[M+H-H2O]+ 369.13383 182.7
[M+HCOO]- 431.13477 204.5
[M+CH3COO]- 445.15042 215.7
[M+Na-2H]- 407.11124 193.3
[M]+ 386.13602 195.6
[M]- 386.13712 195.6
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