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

Preferred term

sinulobatin a  

Type

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

Broader concept

charge

  • 0

formula

  • C22H30O3

inchi

  • InChI=1S/C22H30O3/c1-11(2)9-18-20-12(3)7-8-16-13(4)19(25-15(6)23)10-17(21(16)20)14(5)22(18)24/h9,13-14,17-20H,3,7-8,10H2,1-2,4-6H3/t13-,14-,17-,18+,19+,20+/m0/s1

inchikey

  • GPKYQTWWGVHMSD-XYTVEFIISA-N

mass

  • 342.479

monoisotopicmass

  • 342.21949

smiles

  • O([C@@H]1C[C@@]2(C=3[C@@]([C@H](C(=O)[C@H]2C)C=C(C)C)(C(CCC3[C@@H]1C)=C)[H])[H])C(=O)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,2R,3aS,4S,6R,6aS)-1,4-dimethyl-7-methylidene-6-(2-methylprop-1-enyl)-5-oxo-2,3,3a,4,6,6a,8,9-octahydro-1H-phenalen-2-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:166680

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