CID 56961712

Chebi:184417

Structural Information

Molecular Formula
C30H28O12
SMILES
C1C(C(OC2=C1C(=CC(=C2C(C3=CC(=C(C=C3)O)O)C(CC4=C(C=C(C=C4O)O)O)O)O)O)C5=CC(=C(C=C5)O)O)O
InChI
InChI=1S/C30H28O12/c31-14-7-19(34)15(20(35)8-14)9-24(39)27(12-1-3-17(32)22(37)5-12)28-25(40)11-21(36)16-10-26(41)29(42-30(16)28)13-2-4-18(33)23(38)6-13/h1-8,11,24,26-27,29,31-41H,9-10H2
InChIKey
AAOPKIFUFWCDQZ-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-8-[1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,4-dihydro-2H-chromene-3,5,7-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

580.1581 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.16538 227.4
[M+Na]+ 603.14732 235.3
[M-H]- 579.15082 226.4
[M+NH4]+ 598.19192 230.9
[M+K]+ 619.12126 227.9
[M+H-H2O]+ 563.15536 213.7
[M+HCOO]- 625.15630 232.9
[M+CH3COO]- 639.17195 237.0
[M+Na-2H]- 601.13277 250.7
[M]+ 580.15755 247.9
[M]- 580.15865 247.9
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.