CID 166451882

3'-dehydroisovitexin

Structural Information

Molecular Formula
C21H18O10
SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H](C(=O)[C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C21H18O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,20-23,25-27,29H,7H2/t14-,17-,20-,21+/m1/s1
InChIKey
GZICSZPUJIGKAM-NVGWVTIJSA-N
Compound name
6-[(2S,3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.09 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.09728 198.0
[M+Na]+ 453.07922 210.7
[M+NH4]+ 448.12382 201.0
[M+K]+ 469.05316 208.5
[M-H]- 429.08272 202.3
[M+Na-2H]- 451.06467 199.1
[M]+ 430.08945 200.7
[M]- 430.09055 200.7
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.