CID 42607894

Flavaprenin 7,4'-diglucoside

Structural Information

Molecular Formula
C32H40O15
SMILES
CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)C
InChI
InChI=1S/C32H40O15/c1-13(2)3-8-16-20(45-32-29(42)27(40)25(38)22(12-34)47-32)10-18(36)23-17(35)9-19(44-30(16)23)14-4-6-15(7-5-14)43-31-28(41)26(39)24(37)21(11-33)46-31/h3-7,10,19,21-22,24-29,31-34,36-42H,8-9,11-12H2,1-2H3
InChIKey
SWHOWAZBASIDAD-UHFFFAOYSA-N
Compound name
5-hydroxy-8-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

664.2367 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.24398 247.5
[M+Na]+ 687.22592 250.1
[M-H]- 663.22942 243.0
[M+NH4]+ 682.27052 248.5
[M+K]+ 703.19986 246.3
[M+H-H2O]+ 647.23396 239.5
[M+HCOO]- 709.23490 250.2
[M+CH3COO]- 723.25055 254.0
[M+Na-2H]- 685.21137 272.1
[M]+ 664.23615 256.5
[M]- 664.23725 256.5
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.