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

Preferred term

brasilanone e  

Type

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

Broader concept

charge

  • 0

formula

  • C15H22O2

inchi

  • InChI=1S/C15H22O2/c1-8(2)11-7-15(4,5)14(17)13-9(3)12(16)6-10(11)13/h6,9,13-14,17H,7H2,1-5H3/t9-,13+,14+/m1/s1

inchikey

  • XLMGTEHJZGGSIZ-IIMNLJJBSA-N

mass

  • 234.339

monoisotopicmass

  • 234.16198

smiles

  • O=C1C=C2C(=C(C)C)CC([C@H]([C@H]2[C@@H]1C)O)(C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,7S,7aS)-7-hydroxy-1,6,6-trimethyl-4-propan-2-ylidene-1,5,7,7a-tetrahydroinden-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216141

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