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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 > diterpenoid > allocyathin-b3
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > allocyathin-b3

Preferred term

allocyathin-b3  

Type

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

Broader concept

charge

  • 0

formula

  • C20H28O3

inchi

  • InChI=1S/C20H28O3/c1-12(2)14-5-6-19(3)7-8-20(4)15(18(14)19)10-16(22)13(11-21)9-17(20)23/h5-6,9,12,15-16,21-22H,7-8,10-11H2,1-4H3/t15-,16-,19-,20-/m1/s1

inchikey

  • QQEHZATWBMXTPW-XNFNUYLZSA-N

mass

  • 316.441

monoisotopicmass

  • 316.20384

smiles

  • O=C1C=C([C@H](O)C[C@H]2[C@]1(CC[C@@]3(C2=C(C=C3)C(C)C)C)C)CO

subset

  • 2_STAR

synonym EXACT

  • (3aS,5aR,9R,10aR)-9-hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-propan-2-yl-5,9,10,10a-tetrahydro-4H-cyclohepta[e]inden-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200690

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