CID 131751530

Albanin b

Structural Information

Molecular Formula
C25H24O7
SMILES
CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)CO)O)C4=C(C=C(C=C4)O)O)C
InChI
InChI=1S/C25H24O7/c1-13(2)4-6-17-22(30)21-19(29)11-20-16(8-9-25(3,12-26)32-20)24(21)31-23(17)15-7-5-14(27)10-18(15)28/h4-5,7-11,26-29H,6,12H2,1-3H3
InChIKey
PUYSPXIEVCRSAN-UHFFFAOYSA-N
Compound name
2-(2,4-dihydroxyphenyl)-5-hydroxy-8-(hydroxymethyl)-8-methyl-3-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.1522 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15948 204.2
[M+Na]+ 459.14142 218.8
[M+NH4]+ 454.18602 210.5
[M+K]+ 475.11536 211.4
[M-H]- 435.14492 209.2
[M+Na-2H]- 457.12687 207.6
[M]+ 436.15165 207.9
[M]- 436.15275 207.9
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.