skip to main content

Chemistry, part 3

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > indole alkaloid > terpenoid indole alkaloid > monoterpenoid indole alkaloid > bipleiophylline
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > alkaloid > indole alkaloid > terpenoid indole alkaloid > monoterpenoid indole alkaloid > bipleiophylline

Preferred term

bipleiophylline  

Type

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

Broader concept

charge

  • 0

formula

  • C47H46N4O8

inchi

  • InChI=1S/C47H46N4O8/c1-5-24-22-48-18-16-45-29-12-8-10-14-33(29)50-37(42(54)56-3)26(24)19-34(48)46(45,50)58-40-31(45)21-30-36(39(40)52)41(53)59-47-35-20-27-25(6-2)23-49(35)17-15-44(30,47)28-11-7-9-13-32(28)51(47)38(27)43(55)57-4/h5-14,21,26-27,34-35,37-38,52H,15-20,22-23H2,1-4H3/b24-5-,25-6-/t26-,27-,34-,35-,37-,38-,44+,45-,46+,47+/m0/s1

inchikey

  • KPBHIHSIHGSYNE-JEXWOTFPSA-N

mass

  • 794.892

monoisotopicmass

  • 794.33156

smiles

  • C/C=C/1/CN2CC[C@@]34C5=CC=CC=C5N6[C@@]([C@]1(C[C@]2([C@@]36OC7=C4C=C8C(=C7O)C(=O)O[C@@]9%10[C@@]%11(C[C@]%12(/C(=C/C)/CN%11CC[C@@]8%10C%13=CC=CC=C%13N9[C@@]%12(C(=O)OC)[H])[H])[H])[H])[H])(C(=O)OC)[H]

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:141881

Download this concept:

RDF/XML TURTLE JSON-LD