CID 11954209

Flavanone 7-o-[alpha-l-rhamnosyl-(1->2)-beta-d-glucoside]

Structural Information

Molecular Formula
C27H32O12
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]2OC3=CC4=C(C=C3)C(=O)CC(O4)C5=CC=CC=C5)CO)O)O)O)O)O
InChI
InChI=1S/C27H32O12/c1-12-20(30)22(32)24(34)26(35-12)39-25-23(33)21(31)19(11-28)38-27(25)36-14-7-8-15-16(29)10-17(37-18(15)9-14)13-5-3-2-4-6-13/h2-9,12,17,19-28,30-34H,10-11H2,1H3/t12-,17?,19+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
InChIKey
NGCDNNXVUMHGTD-UJZKHPIGSA-N
Compound name
7-[(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]oxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.1894 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.19668 229.3
[M+Na]+ 571.17862 230.7
[M-H]- 547.18212 236.3
[M+NH4]+ 566.22322 226.1
[M+K]+ 587.15256 233.1
[M+H-H2O]+ 531.18666 218.3
[M+HCOO]- 593.18760 229.4
[M+CH3COO]- 607.20325 246.5
[M+Na-2H]- 569.16407 224.5
[M]+ 548.18885 228.0
[M]- 548.18995 228.0
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.