skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > diterpenoid > diterpene glycoside > 6-/{7-[(3r,5r)-5-((6s,5r)-5-ethyl-5-hydroxy-6-methyl(2h-3,4,5,6-tetrahydropyran-2-yl))-5-ethyl-3-methyloxolan-2-yl](3s,7s,4r,5r)-4-hydroxy-3,5-dimethyl-6-oxo nonyl/}-2-hydroxy-3-methylbenzoic acid, sodium salt
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > diterpene glycoside > 6-/{7-[(3r,5r)-5-((6s,5r)-5-ethyl-5-hydroxy-6-methyl(2h-3,4,5,6-tetrahydropyran-2-yl))-5-ethyl-3-methyloxolan-2-yl](3s,7s,4r,5r)-4-hydroxy-3,5-dimethyl-6-oxo nonyl/}-2-hydroxy-3-methylbenzoic acid, sodium salt
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > terpene glycoside > diterpene glycoside > 6-/{7-[(3r,5r)-5-((6s,5r)-5-ethyl-5-hydroxy-6-methyl(2h-3,4,5,6-tetrahydropyran-2-yl))-5-ethyl-3-methyloxolan-2-yl](3s,7s,4r,5r)-4-hydroxy-3,5-dimethyl-6-oxo nonyl/}-2-hydroxy-3-methylbenzoic acid, sodium salt
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene glycoside > diterpene glycoside > 6-/{7-[(3r,5r)-5-((6s,5r)-5-ethyl-5-hydroxy-6-methyl(2h-3,4,5,6-tetrahydropyran-2-yl))-5-ethyl-3-methyloxolan-2-yl](3s,7s,4r,5r)-4-hydroxy-3,5-dimethyl-6-oxo nonyl/}-2-hydroxy-3-methylbenzoic acid, sodium salt
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > diterpene glycoside > 6-/{7-[(3r,5r)-5-((6s,5r)-5-ethyl-5-hydroxy-6-methyl(2h-3,4,5,6-tetrahydropyran-2-yl))-5-ethyl-3-methyloxolan-2-yl](3s,7s,4r,5r)-4-hydroxy-3,5-dimethyl-6-oxo nonyl/}-2-hydroxy-3-methylbenzoic acid, sodium salt

Preferred term

6-/{7-[(3r,5r)-5-((6s,5r)-5-ethyl-5-hydroxy-6-methyl(2h-3,4,5,6-tetrahydropyran-2-yl))-5-ethyl-3-methyloxolan-2-yl](3s,7s,4r,5r)-4-hydroxy-3,5-dimethyl-6-oxo nonyl/}-2-hydroxy-3-methylbenzoic acid, sodium salt  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C34H53O8.Na

inchi

  • InChI=1S/C34H54O8.Na/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39;/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39);/q;+1/p-1

inchikey

  • RDHDUYAKDYQPEW-UHFFFAOYSA-M

mass

  • 612.780

monoisotopicmass

  • 612.36381

smiles

  • [Na+].O1C(CC(C1C(CC)C(=O)C(C(O)C(CCC2=C(C(O)=C(C=C2)C)C([O-])=O)C)C)C)(C3OC(C(O)(CC3)CC)C)CC

subset

  • 2_STAR

synonym EXACT

  • sodium.6-[7-[5-ethyl-5-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:180981

Download this concept:

RDF/XML TURTLE JSON-LD