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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > terpene glycoside > (3s,4ar,5r,6s)-6-hydroxy-4a,5-dimethyl-3-((e)-1-((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene glycoside > (3s,4ar,5r,6s)-6-hydroxy-4a,5-dimethyl-3-((e)-1-((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > (3s,4ar,5r,6s)-6-hydroxy-4a,5-dimethyl-3-((e)-1-((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one

Preferred term

(3s,4ar,5r,6s)-6-hydroxy-4a,5-dimethyl-3-((e)-1-((2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one  

Type

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

Broader concept

charge

  • 0

formula

  • C21H32O8

has_role

inchi

  • InChI=1S/C21H32O8/c1-10(9-28-20-19(27)18(26)17(25)16(8-22)29-20)13-7-21(3)11(2)14(23)5-4-12(21)6-15(13)24/h6,9,11,13-14,16-20,22-23,25-27H,4-5,7-8H2,1-3H3/b10-9+/t11-,13-,14-,16+,17+,18-,19+,20+,21+/m0/s1

inchikey

  • LZALOOWTGZEYLC-SCVIUQFGSA-N

mass

  • 412.47400

monoisotopicmass

  • 412.20972

smiles

  • C[C@H]1[C@@H](O)CCC2=CC(=O)[C@@H](C[C@]12C)C(/C)=C/O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69892

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