CID 157009871

Apigenin 6-c-glucosyl-o-arabinoside

Structural Information

Molecular Formula
C26H28O14
SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C26H28O14/c27-7-15-19(31)24(36)26(40-15)37-8-16-20(32)22(34)23(35)25(39-16)18-12(30)6-14-17(21(18)33)11(29)5-13(38-14)9-1-3-10(28)4-2-9/h1-6,15-16,19-20,22-28,30-36H,7-8H2/t15-,16-,19-,20-,22+,23-,24+,25?,26-/m1/s1
InChIKey
FIOWCFBQOIGQDV-NXGDVTQMSA-N
Compound name
6-[(3R,4R,5S,6R)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.1479 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.155176 231.3
[M+Na]+ 587.137118 235.7
[M-H]- 563.140624 227.9
[M+NH4]+ 582.181723 233.2
[M+K]+ 603.111058 236.0
[M+H-H2O]+ 547.145160 223.2
[M+HCOO]- 609.146101 235.1
[M+CH3COO]- 623.161751 239.2
[M+Na-2H]- 585.122566 250.3
[M]+ 564.14735142 240.2
[M]- 564.14844858 240.2
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.