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
1
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 222.7
[M+Na]+ 557.12652 223.2
[M+NH4]+ 552.17112 222.4
[M+K]+ 573.10046 229.1
[M-H]- 533.13002 215.8
[M+Na-2H]- 555.11197 240.8
[M]+ 534.13675 220.3
[M]- 534.13785 220.3
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.