CID 42607605

Chalconaringenin 2'-rhamnosyl-(1->4)-glucoside

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](O[C@H]([C@@H]([C@H]2O)O)OC3=CC(=CC(=C3C(=O)/C=C/C4=CC=C(C=C4)O)O)O)CO)O)O)O
InChI
InChI=1S/C27H32O14/c1-11-20(33)21(34)23(36)26(38-11)41-25-18(10-28)40-27(24(37)22(25)35)39-17-9-14(30)8-16(32)19(17)15(31)7-4-12-2-5-13(29)6-3-12/h2-9,11,18,20-30,32-37H,10H2,1H3/b7-4+/t11-,18+,20-,21+,22+,23+,24+,25+,26-,27+/m0/s1
InChIKey
MTVKTIGIQSWAJE-UTMDUKLCSA-N
Compound name
(E)-1-[2-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.1792 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.18648 230.4
[M+Na]+ 603.16842 234.0
[M-H]- 579.17192 226.3
[M+NH4]+ 598.21302 231.4
[M+K]+ 619.14236 228.8
[M+H-H2O]+ 563.17646 219.4
[M+HCOO]- 625.17740 233.5
[M+CH3COO]- 639.19305 249.4
[M+Na-2H]- 601.15387 253.7
[M]+ 580.17865 238.5
[M]- 580.17975 238.5
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.