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Secondary metabolite: Glucitol,4,6-O-nonylidene
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C15H30O6
SMILES:
CCCCCCCCC1OCC(C(O1)C(C(CO)O)O)O
InChI:
InChI=1S/C15H30O6/c1-2-3-4-5-6-7-8-13-20-10-12(18)15(21-13)14(19)11(17)9-16/h11-19H,2-10H2,1H3
InChIKey:
DYZAVRZBWQQCLL-UHFFFAOYSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1COCOC1
Scaffold Graph/Node level:
C1COCOC1
Scaffold Graph level:
C1CCCCC1
Chemical classification
Kingdom:
Organic compounds
Super class:
Organoheterocyclic compounds
Class:
Dioxanes
Sub class:
1,3-dioxanes
Synonymous chemical names:
glucitol,4,6-o-nonylidene
External chemical identifiers:
CID_568523
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
TOP
Designed by
R.P. Vivek-Ananth
, M Karthikeyan and Ajaya Kumar Sahoo