CID 131750983

Eq-4''-hydroxymaysin

Structural Information

Molecular Formula
C27H30O14
SMILES
CC1C(C(C(C(O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)OC5C(C(C(C(O5)C)O)O)O)O)O
InChI
InChI=1S/C27H30O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22-29,31-37H,1-2H3
InChIKey
QXHHBGFIPDPRAX-UHFFFAOYSA-N
Compound name
6-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

578.1636 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.17088 229.7
[M+Na]+ 601.15282 230.2
[M+NH4]+ 596.19742 229.4
[M+K]+ 617.12676 236.2
[M-H]- 577.15632 223.0
[M+Na-2H]- 599.13827 248.5
[M]+ 578.16305 227.4
[M]- 578.16415 227.4
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.