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

Preferred term

chaetolivacine a  

Type

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

Broader concept

charge

  • 0

formula

  • C29H35NO2

inchi

  • InChI=1S/C29H35NO2/c1-6-19(3)25-20(4)17-29(5)16-18(2)12-13-24(29)26(25)27(31)23-15-22(30-28(23)32)14-21-10-8-7-9-11-21/h6-11,14-15,17-18,24-26H,12-13,16H2,1-5H3,(H,30,32)/b19-6+,22-14-/t18-,24+,25-,26+,29+/m1/s1

inchikey

  • NDYMFLJVSWDWNK-BLJNRIBASA-N

mass

  • 429.604

monoisotopicmass

  • 429.26678

smiles

  • O=C1N/C(=C/C2=CC=CC=C2)/C=C1C(=O)[C@@H]3[C@@H](C(=C[C@]4([C@H]3CC[C@H](C4)C)C)C)/C(=C/C)/C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220654

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