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 > terpene lactone > phellinignincisterol a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene lactone > phellinignincisterol a
... > organooxygen compound > ester > carboxylic ester > lactone > terpene lactone > phellinignincisterol a
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > phellinignincisterol a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > phellinignincisterol a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > phellinignincisterol a
organooxygen compound > ester > lactone > terpene lactone > phellinignincisterol a
organooxygen compound > oxacycle > lactone > terpene lactone > phellinignincisterol a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > phellinignincisterol a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > phellinignincisterol a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > phellinignincisterol a

Preferred term

phellinignincisterol a  

Type

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

Broader concept

charge

  • 0

formula

  • C21H32O5

inchi

  • InChI=1S/C21H32O5/c1-13(5-6-14(12-22)19(2,3)24)15-7-10-21(25)16-11-18(23)26-17(16)8-9-20(15,21)4/h5-6,11,13-15,17,22,24-25H,7-10,12H2,1-4H3/t13-,14-,15-,17+,20-,21-/m1/s1

inchikey

  • DPLUBJMWMWJWLE-HPGAYVIXSA-N

mass

  • 364.482

monoisotopicmass

  • 364.22497

smiles

  • O=C1O[C@H]2CC[C@]3([C@@](C2=C1)(O)CC[C@@H]3[C@@H](C=C[C@@H](C(O)(C)C)CO)C)C

subset

  • 2_STAR

synonym EXACT

  • (3aS,5aR,6R,8aS)-8a-hydroxy-6-[(2R,5R)-6-hydroxy-5-(hydroxymethyl)-6-methylhept-3-en-2-yl]-5a-methyl-3a,4,5,6,7,8-hexahydrocyclopenta[e][1]benzouran-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219689

Download this concept:

RDF/XML TURTLE JSON-LD