CID 44257489
6a,7-dihydroxymaackiain
Structural Information
- Molecular Formula
- C16H12O7
- SMILES
- C1C2(C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C(=C42)O)OCO5)O
- InChI
- InChI=1S/C16H12O7/c17-7-1-2-8-9(3-7)20-5-16(19)12-10(23-15(8)16)4-11-14(13(12)18)22-6-21-11/h1-4,15,17-19H,5-6H2
- InChIKey
- KVZNRXOMVOCEBF-UHFFFAOYSA-N
- Compound name
- 5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene-1,3,16-triol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 317.06558 | 161.7 |
[M+Na]+ | 339.04752 | 172.2 |
[M-H]- | 315.05102 | 168.8 |
[M+NH4]+ | 334.09212 | 178.6 |
[M+K]+ | 355.02146 | 172.3 |
[M+H-H2O]+ | 299.05556 | 158.9 |
[M+HCOO]- | 361.05650 | 172.8 |
[M+CH3COO]- | 375.07215 | 173.9 |
[M+Na-2H]- | 337.03297 | 168.9 |
[M]+ | 316.05775 | 166.5 |
[M]- | 316.05885 | 166.5 |
Literature stripe
Patent stripe
No patent data available for this compound.