CID 183905

6,8-di-c-beta-d-arabinopyranosylapigenin

Structural Information

Molecular Formula
C25H26O13
SMILES
C1[C@H]([C@H]([C@@H]([C@@H](O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)[C@H]5[C@H]([C@@H]([C@@H](CO5)O)O)O)O)O)O)O
InChI
InChI=1S/C25H26O13/c26-9-3-1-8(2-4-9)13-5-10(27)14-19(32)15(24-21(34)17(30)11(28)6-36-24)20(33)16(23(14)38-13)25-22(35)18(31)12(29)7-37-25/h1-5,11-12,17-18,21-22,24-26,28-35H,6-7H2/t11-,12-,17-,18-,21+,22+,24+,25+/m1/s1
InChIKey
LDVNKZYMYPZDAI-DSSHJQBISA-N
Compound name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

534.1373 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.14458 224.2
[M+Na]+ 557.12652 228.3
[M-H]- 533.13002 219.3
[M+NH4]+ 552.17112 225.7
[M+K]+ 573.10046 225.2
[M+H-H2O]+ 517.13456 216.2
[M+HCOO]- 579.13550 227.8
[M+CH3COO]- 593.15115 232.2
[M+Na-2H]- 555.11197 247.2
[M]+ 534.13675 234.6
[M]- 534.13785 234.6
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.