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Chemistry, part 2

Content language

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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 > 14-angeloyloxy-2alpha,3alpha-epoxy-1-oxo-o-methylcacalol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > 14-angeloyloxy-2alpha,3alpha-epoxy-1-oxo-o-methylcacalol

Preferred term

14-angeloyloxy-2alpha,3alpha-epoxy-1-oxo-o-methylcacalol  

Type

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

Broader concept

charge

  • 0

formula

  • C21H22O6

has_role

inchi

  • InChI=1S/C21H22O6/c1-6-9(2)21(23)26-8-12-13-10(3)7-25-19(13)18(24-5)15-14(12)11(4)17-20(27-17)16(15)22/h6-7,11,17,20H,8H2,1-5H3/b9-6-/t11-,17+,20-/m1/s1

inchikey

  • FBZSDKQMXBAROQ-HHTLWVCYSA-N

mass

  • 370.39580

monoisotopicmass

  • 370.14164

smiles

  • [H][C@@]12O[C@]1([H])C(=O)c1c(OC)c3occ(C)c3c(COC(=O)C(/C)=C/C)c1[C@H]2C

subset

  • 2_STAR

synonym RELATED

  • [(1aS,8R,8aS)-3-Methoxy-6,8-dimethyl-2-oxo-1a,2,8,8a-tetrahydrooxireno[6,7]naphtho[2,3-b]furan-7-yl]methyl (2Z)-2-methyl-2-butenoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70602

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