CID 21159144

Eujambin

Structural Information

Molecular Formula
C30H26O17
SMILES
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)OC(=O)C
InChI
InChI=1S/C30H26O17/c1-9-25(44-10(2)31)24(41)28(46-29(42)12-5-17(36)22(39)18(37)6-12)30(43-9)47-27-23(40)20-14(33)7-13(32)8-19(20)45-26(27)11-3-15(34)21(38)16(35)4-11/h3-9,24-25,28,30,32-39,41H,1-2H3
InChIKey
PYGGSPJDJQBCNV-UHFFFAOYSA-N
Compound name
[5-acetyloxy-2-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-4-hydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

658.117 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.12428 243.2
[M+Na]+ 681.10622 248.8
[M-H]- 657.10972 242.8
[M+NH4]+ 676.15082 246.0
[M+K]+ 697.08016 240.7
[M+H-H2O]+ 641.11426 233.3
[M+HCOO]- 703.11520 247.7
[M+CH3COO]- 717.13085 251.6
[M+Na-2H]- 679.09167 266.5
[M]+ 658.11645 259.7
[M]- 658.11755 259.7
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.