CID 131752145

Cis-p-coumaric acid 4-[apiosyl-(1->2)-glucoside]

Structural Information

Molecular Formula
C20H26O12
SMILES
C1C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)/C=C/C(=O)O)CO)O)O)O)(CO)O
InChI
InChI=1S/C20H26O12/c21-7-12-14(25)15(26)16(32-19-17(27)20(28,8-22)9-29-19)18(31-12)30-11-4-1-10(2-5-11)3-6-13(23)24/h1-6,12,14-19,21-22,25-28H,7-9H2,(H,23,24)/b6-3+
InChIKey
DAVWDWCHQLSZAZ-ZZXKWVIFSA-N
Compound name
(E)-3-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

458.14243 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.14971 200.7
[M+Na]+ 481.13165 204.8
[M+NH4]+ 476.17625 201.9
[M+K]+ 497.10559 206.7
[M-H]- 457.13515 200.2
[M+Na-2H]- 479.11710 198.2
[M]+ 458.14188 200.3
[M]- 458.14298 200.3
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.