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 > diterpenoid > kaurane diterpenoid > isoadenolin e, (rel)-
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > kaurane diterpenoid > isoadenolin e, (rel)-

Preferred term

isoadenolin e, (rel)-  

Type

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

Broader concept

charge

  • 0

formula

  • C21H32O7

has_role

inchi

  • InChI=1S/C21H32O7/c1-9-10-8-11(22)12-19-7-5-6-18(2,3)13(19)16(25)21(26,28-17(19)27-4)20(12,14(9)23)15(10)24/h10-17,22-26H,1,5-8H2,2-4H3/t10-,11+,12+,13-,14-,15-,16+,17+,19-,20+,21+/m1/s1

inchikey

  • MQFOWMSWYZXMPL-JXMVGPHCSA-N

mass

  • 396.47460

monoisotopicmass

  • 396.21480

smiles

  • [H][C@@]12C[C@H](O)[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](O)[C@](O)(O[C@@H]5OC)[C@@]3([C@H](O)C1=C)[C@@H]2O

subset

  • 2_STAR

synonym RELATED

  • rel-20(S)-6beta,7beta,11beta,14beta,15beta-pentahydroxy-20-methoxy-7alpha,20-epoxy-ent-kaur-16-ene

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67656

Download this concept:

RDF/XML TURTLE JSON-LD