CID 14281859

Gva41053

Structural Information

Molecular Formula
C26H28O15
SMILES
C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)(CO)O
InChI
InChI=1S/C26H28O15/c27-7-18-20(33)21(34)22(41-25-23(35)26(36,8-28)9-37-25)24(40-18)38-11-4-14(31)19-15(32)6-16(39-17(19)5-11)10-1-2-12(29)13(30)3-10/h1-6,18,20-25,27-31,33-36H,7-9H2
InChIKey
YSXNEFJASLJGTK-UHFFFAOYSA-N
Compound name
7-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

580.1428 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.15008 227.3
[M+Na]+ 603.13202 228.0
[M+NH4]+ 598.17662 227.1
[M+K]+ 619.10596 233.2
[M-H]- 579.13552 220.6
[M+Na-2H]- 601.11747 242.0
[M]+ 580.14225 225.1
[M]- 580.14335 225.1
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

patents stripe