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]+ 581.186476 232.1
[M+Na]+ 603.168418 235.1
[M-H]- 579.171924 226.5
[M+NH4]+ 598.213023 233.0
[M+K]+ 619.142358 232.3
[M+H-H2O]+ 563.176460 224.7
[M+HCOO]- 625.177401 235.0
[M+CH3COO]- 639.193051 239.2
[M+Na-2H]- 601.153866 255.9
[M]+ 580.17865142 239.5
[M]- 580.17974858 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.