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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 > diterpenoid > diterpene alkaloid > ignavine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > diterpene alkaloid > ignavine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > terpene alkaloid > diterpene alkaloid > ignavine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene alkaloid > diterpene alkaloid > ignavine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > terpene alkaloid > diterpene alkaloid > ignavine

Preferred term

ignavine  

Type

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

Broader concept

charge

  • 0

formula

  • C27H31NO5

inchi

  • InChI=1S/C27H31NO5/c1-13-15-8-16-20-26-11-18(33-23(31)14-6-4-3-5-7-14)22(30)24(2)12-28(20)17(19(24)26)10-25(16,21(13)29)27(26,32)9-15/h3-7,15-22,29-30,32H,1,8-12H2,2H3/t15-,16?,17+,18+,19+,20?,21+,22-,24-,25?,26?,27-/m0/s1

inchikey

  • FOIZZXKAYVIZQC-HBFXMWHYSA-N

mass

  • 449.540

monoisotopicmass

  • 449.22022

smiles

  • O[C@]12C34C5N6[C@@]([C@@]3([C@](C6)([C@@H](O)[C@H](OC(=O)C7=CC=CC=C7)C4)C)[H])(CC18C5C[C@@](C2)(C([C@H]8O)=C)[H])[H]

subset

  • 2_STAR

synonym RELATED

  • (2alpha,3beta,6gluco,14epsilon,15beta,20epsilon)-3,9,15-Trihydroxyhetisan-2-yl benzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:138829

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