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 > organic hydroxy compound > asperunguisin a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > asperunguisin a

Preferred term

asperunguisin a  

Type

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

Broader concept

charge

  • 0

formula

  • C25H40O3

inchi

  • InChI=1S/C25H40O3/c1-14(2)16-9-11-23(4)17(16)10-12-24(5)18-8-7-15(3)21(27)22(28)25(18,6)20(26)13-19(23)24/h10,14,16,18-22,26-28H,3,7-9,11-13H2,1-2,4-6H3/t16-,18+,19-,20-,21-,22+,23+,24+,25-/m0/s1

inchikey

  • NGAYUCRULVOMER-NKJUQTNKSA-N

mass

  • 388.592

monoisotopicmass

  • 388.29775

smiles

  • O[C@H]1C(=C)CC[C@H]2[C@]([C@@H]1O)([C@@H](O)C[C@@H]3[C@@]2(CC=C4[C@]3(CC[C@H]4C(C)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,2R,6S,7S,8S,9S,11R,12S,15S)-1,8,12-trimethyl-5-methylidene-15-propan-2-yltetracyclo[9.7.0.02,8.012,16]octadec-16-ene-6,7,9-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224191

Download this concept:

RDF/XML TURTLE JSON-LD