CID 131752678

Marmesin rhamnoside

Structural Information

Molecular Formula
C20H24O8
SMILES
CC1C(C(C(C(O1)OC(C)(C)C2CC3=C(O2)C=C4C(=C3)C=CC(=O)O4)O)O)O
InChI
InChI=1S/C20H24O8/c1-9-16(22)17(23)18(24)19(25-9)28-20(2,3)14-7-11-6-10-4-5-15(21)27-12(10)8-13(11)26-14/h4-6,8-9,14,16-19,22-24H,7H2,1-3H3
InChIKey
HOSJGHRJSDQCPE-UHFFFAOYSA-N
Compound name
2-[2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.14713 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15441 188.6
[M+Na]+ 415.13635 195.7
[M-H]- 391.13985 195.6
[M+NH4]+ 410.18095 198.1
[M+K]+ 431.11029 196.3
[M+H-H2O]+ 375.14439 183.3
[M+HCOO]- 437.14533 197.7
[M+CH3COO]- 451.16098 217.7
[M+Na-2H]- 413.12180 191.3
[M]+ 392.14658 192.4
[M]- 392.14768 192.4
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.