CID 10603320

(2s)-naringenin 8-c-alpha-l-rhamnopyranosyl-(1->2)-beta-d-glucopyranoside

Structural Information

Molecular Formula
C27H32O14
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C4C(=C(C=C3O)O)C(=O)C[C@H](O4)C5=CC=C(C=C5)O)CO)O)O)O)O)O
InChI
InChI=1S/C27H32O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-6,9,15-16,19-23,25-31,33-37H,7-8H2,1H3/t9-,15-,16+,19-,20+,21+,22-,23+,25-,26+,27-/m0/s1
InChIKey
LCTOQECBRZFOCD-SSAHSMSHSA-N
Compound name
(2S)-8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

580.1792 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.18648 232.1
[M+Na]+ 603.16842 235.1
[M-H]- 579.17192 226.5
[M+NH4]+ 598.21302 233.0
[M+K]+ 619.14236 232.3
[M+H-H2O]+ 563.17646 224.7
[M+HCOO]- 625.17740 235.0
[M+CH3COO]- 639.19305 239.2
[M+Na-2H]- 601.15387 255.9
[M]+ 580.17865 239.5
[M]- 580.17975 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

No patent data available for this compound.