1.0 2010-04-08 22:07:19 UTC 2025-11-18 23:02:51 UTC FDB006809 Resins Resins can be found in pomegranate, which makes resins a potential biomarker for the consumption of this food product. In polymer chemistry and materials science, resin is a "solid or highly viscous substance" of plant or synthetic origin that is typically convertible into polymers. They are often mixtures of organic compounds, principally terpenes. Many plants, particularly woody plants, produce resin in response to injury. The resin acts as a bandage protecting the plant from invading insects and pathogens . Shellac, purified C30H50O11 586.7114 586.335312442 (2R,6S,7R,10S)-10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.0¹,⁵]undec-8-ene-2,8-dicarboxylic acid; 9,10,15-trihydroxypentadecanoic acid (2R,6S,7R,10S)-10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.0¹,⁵]undec-8-ene-2,8-dicarboxylic acid; 9,10,15-trihydroxypentadecanoic acid OCCCCCC(O)C(O)CCCCCCCC(O)=O.C[C@@]1(CO)[C@H]2CC3([C@@H](CCC13)C(O)=O)[C@@H](O)C=C2C(O)=O InChI=1S/C15H20O6.C15H30O5/c1-14(6-16)9-5-15(11(17)4-7(9)12(18)19)8(13(20)21)2-3-10(14)15;16-12-8-4-6-10-14(18)13(17)9-5-2-1-3-7-11-15(19)20/h4,8-11,16-17H,2-3,5-6H2,1H3,(H,18,19)(H,20,21);13-14,16-18H,1-12H2,(H,19,20)/t8-,9-,10?,11-,14+,15?;/m0./s1 ZLGIYFNHBLSMPS-ATJNOEHPSA-N belongs to the class of organic compounds known as cedrane and isocedrane sesquiterpenoids. These are sesquiternoids with a structure based on the cedrane or the isocedrane skeleton. Cedrane is a tricyclic molecules a 3,6,8,8-tetramethyl-1H-3a,7-methano-azulene moiety. Isocedrane is a rearranged cedrane arising from the migration of methyl group moved from the 6-position to the 4-position. Cedrane and isocedrane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Hydroxy fatty acids Long-chain fatty acids Organic oxides Polyols Primary alcohols Secondary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cedrane sesquiterpenoid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy fatty acid Long-chain fatty acid Organic oxide Organic oxygen compound Organooxygen compound Polyol Primary alcohol Secondary alcohol logp -0.13 ChemAxon pka_strongest_acidic 3.92 ChemAxon pka_strongest_basic -1 ChemAxon iupac (2R,6S,7R,10S)-10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.0¹,⁵]undec-8-ene-2,8-dicarboxylic acid; 9,10,15-trihydroxypentadecanoic acid ChemAxon average_mass 586.7114 ChemAxon mono_mass 586.335312442 ChemAxon smiles OCCCCCC(O)C(O)CCCCCCCC(O)=O.C[C@@]1(CO)[C@H]2CC3([C@@H](CCC13)C(O)=O)[C@@H](O)C=C2C(O)=O ChemAxon formula C30H50O11 ChemAxon inchi InChI=1S/C15H20O6.C15H30O5/c1-14(6-16)9-5-15(11(17)4-7(9)12(18)19)8(13(20)21)2-3-10(14)15;16-12-8-4-6-10-14(18)13(17)9-5-2-1-3-7-11-15(19)20/h4,8-11,16-17H,2-3,5-6H2,1H3,(H,18,19)(H,20,21);13-14,16-18H,1-12H2,(H,19,20)/t8-,9-,10?,11-,14+,15?;/m0./s1 ChemAxon inchikey ZLGIYFNHBLSMPS-ATJNOEHPSA-N ChemAxon polar_surface_area 115.06 ChemAxon refractivity 72.24 ChemAxon polarizability 29.41 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 55557 Specdb::MsMs 55558 Specdb::MsMs 55559 Specdb::MsMs 110742 Specdb::MsMs 110743 Specdb::MsMs 110744 Pomegranate Type 1 specific Punica granatum 22663 4500.0 4500.0 4500.0 mg/100 g