CID 14134095

5,7,3',4'-tetrahydroxy-4-phenylcoumarin 5-o-apiosyl-(1->6)-glucoside

Structural Information

Molecular Formula
C26H28O15
SMILES
C1[C@@]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=CC4=C3C(=CC(=O)O4)C5=CC(=C(C=C5)O)O)O)O)O)O)O)(CO)O
InChI
InChI=1S/C26H28O15/c27-8-26(36)9-38-25(23(26)35)37-7-17-20(32)21(33)22(34)24(41-17)40-16-5-11(28)4-15-19(16)12(6-18(31)39-15)10-1-2-13(29)14(30)3-10/h1-6,17,20-25,27-30,32-36H,7-9H2/t17-,20-,21+,22-,23+,24-,25-,26-/m1/s1
InChIKey
URQNORFSMLKGLE-JEQMPJCPSA-N
Compound name
5-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-(3,4-dihydroxyphenyl)-7-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.1428 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.15008 229.5
[M+Na]+ 603.13202 233.8
[M-H]- 579.13552 226.4
[M+NH4]+ 598.17662 231.3
[M+K]+ 619.10596 233.1
[M+H-H2O]+ 563.14006 221.3
[M+HCOO]- 625.14100 233.3
[M+CH3COO]- 639.15665 237.5
[M+Na-2H]- 601.11747 248.4
[M]+ 580.14225 237.4
[M]- 580.14335 237.4
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.