skip to main content

Chemistry, part 2

Content language

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

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > limonoid > chisomicine b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > limonoid > chisomicine b

Preferred term

chisomicine b  

Type

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

Broader concept

charge

  • 0

formula

  • C32H40O9

has_role

inchi

  • InChI=1S/C32H40O9/c1-7-16(2)27(35)40-25-23-26-32(41-26)18(30(5)19(12-21(33)37-6)29(25,4)15-31(23,30)36)8-10-28(3)20(32)13-22(34)39-24(28)17-9-11-38-14-17/h7,9,11,14,18-20,23-26,36H,8,10,12-13,15H2,1-6H3/b16-7+/t18-,19+,20-,23?,24+,25-,26-,28-,29-,30+,31-,32-/m1/s1

inchikey

  • NVUJWJSHWTUKSE-JBAFMARGSA-N

mass

  • 568.65460

monoisotopicmass

  • 568.26723

smiles

  • [H][C@]12O[C@@]11[C@]([H])(CC[C@@]3(C)[C@@H](OC(=O)C[C@@]13[H])c1ccoc1)[C@@]1(C)[C@@H](CC(=O)OC)[C@@]3(C)C[C@@]1(O)C2[C@H]3OC(=O)C(/C)=C/C

subset

  • 2_STAR

synonym RELATED

  • (2R,4S,5R,9R,10R,13R,14R,15S,16R,18R,19R)-9-(3-Furyl)-18-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16-trimethyl-7-oxo-3,8-dioxahexacyclo[14.2.1.0(2,4).0(4,13).0(5,10).0(14,18)]nonadec-19-yl (2E)-2-methy l-2-butenoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68096

Download this concept:

RDF/XML TURTLE JSON-LD