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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 > sesquiterpenoid > tricycloalternarene e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > tricycloalternarene e

Preferred term

tricycloalternarene e  

Type

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

Broader concept

charge

  • 0

formula

  • C21H32O5

inchi

  • InChI=1S/C21H32O5/c1-13(12-22)5-4-6-14(2)16-9-10-20(3)21(16,25)11-15-18(26-20)8-7-17(23)19(15)24/h9,13-14,17,22-23,25H,4-8,10-12H2,1-3H3/t13?,14?,17-,20-,21-/m0/s1

inchikey

  • QIRMUZGKQFREHZ-VASUFEGXSA-N

mass

  • 364.482

monoisotopicmass

  • 364.22497

smiles

  • O=C1C2=C(O[C@]3(CC=C([C@]3(C2)O)C(CCCC(CO)C)C)C)CC[C@@H]1O

subset

  • 2_STAR

synonym EXACT

  • (3aS,7S,9aS)-7,9a-dihydroxy-1-(7-hydroxy-6-methylheptan-2-yl)-3a-methyl-5,6,7,9-tetrahydro-3H-cyclopenta[b]chromen-8-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220982

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