CID 42607995

Dorsmanin h

Structural Information

Molecular Formula
C25H28O7
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=CC(=C(C=C3)O)O)CC(C(=C)C)O)O)C
InChI
InChI=1S/C25H28O7/c1-12(2)5-7-15-23(30)16(10-18(27)13(3)4)25-22(24(15)31)20(29)11-21(32-25)14-6-8-17(26)19(28)9-14/h5-6,8-9,18,21,26-28,30-31H,3,7,10-11H2,1-2,4H3/t18?,21-/m0/s1
InChIKey
AZJHCBAWHISFNV-ZYZRXSCRSA-N
Compound name
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1835 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.19078 206.0
[M+Na]+ 463.17272 210.9
[M-H]- 439.17622 207.6
[M+NH4]+ 458.21732 211.8
[M+K]+ 479.14666 207.3
[M+H-H2O]+ 423.18076 198.7
[M+HCOO]- 485.18170 213.4
[M+CH3COO]- 499.19735 228.5
[M+Na-2H]- 461.15817 199.6
[M]+ 440.18295 205.7
[M]- 440.18405 205.7
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.