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

Preferred term

tricycloalternarene c  

Type

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

Broader concept

charge

  • 0

formula

  • C21H32O4

inchi

  • InChI=1S/C21H32O4/c1-13(2)6-5-10-20(3,24)15-9-11-21(4)16(15)12-14-17(22)7-8-18(23)19(14)25-21/h6,15-16,18,23-24H,5,7-12H2,1-4H3/t15-,16+,18-,20?,21-/m1/s1

inchikey

  • NVOASYIZKHWWFD-YDSGBYASSA-N

mass

  • 348.483

monoisotopicmass

  • 348.23006

smiles

  • O=C1C2=C(O[C@@]3(CC[C@H]([C@@H]3C2)C(O)(CCC=C(C)C)C)C)[C@H](O)CC1

subset

  • 2_STAR

synonym EXACT

  • (1R,3aR,5R,9aS)-5-hydroxy-1-(2-hydroxy-6-methylhept-5-en-2-yl)-3a-methyl-1,2,3,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202275

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