CID 50906078

6-c-[2-o-alpha-l-rhamnopyranosyl-(1''->2')]-beta-d-xylopyranosylluteolin

Structural Information

Molecular Formula
C26H28O14
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](CO[C@H]2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
InChI
InChI=1S/C26H28O14/c1-8-19(32)22(35)23(36)26(38-8)40-25-20(33)14(31)7-37-24(25)18-13(30)6-16-17(21(18)34)12(29)5-15(39-16)9-2-3-10(27)11(28)4-9/h2-6,8,14,19-20,22-28,30-36H,7H2,1H3/t8-,14+,19-,20-,22+,23+,24-,25+,26-/m0/s1
InChIKey
KWYUKTMFRNMTME-XDUIEAMJSA-N
Compound name
2-(3,4-dihydroxyphenyl)-6-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

564.1479 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.15518 229.2
[M+Na]+ 587.13712 233.4
[M-H]- 563.14062 224.7
[M+NH4]+ 582.18172 230.8
[M+K]+ 603.11106 229.7
[M+H-H2O]+ 547.14516 221.8
[M+HCOO]- 609.14610 232.9
[M+CH3COO]- 623.16175 237.1
[M+Na-2H]- 585.12257 252.6
[M]+ 564.14735 239.5
[M]- 564.14845 239.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe