skip to main content

Chemistry, part 2

Content language

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

Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > purpurein
... > 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 aromatic compound > phenylpropanoid > cinnamate ester > purpurein
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > purpurein
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enoate ester > cinnamate ester > purpurein

Preferred term

purpurein  

Type

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

Broader concept

charge

  • 0

formula

  • C21H28O9

inchi

  • InChI=1S/C21H28O9/c22-11-16-18(26)19(27)20(21(29-16)28-15-4-2-1-3-14(15)24)30-17(25)10-7-12-5-8-13(23)9-6-12/h5-10,14-16,18-24,26-27H,1-4,11H2/b10-7+/t14?,15?,16-,18-,19+,20-,21-/m1/s1

inchikey

  • ZTMPDTJBTNGZJH-CBUJGKTRSA-N

mass

  • 424.442

monoisotopicmass

  • 424.17333

smiles

  • O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1OC(/C=C/C2=CC=C(C=C2)O)=O)O)O)CO)C3CCCCC3O

subset

  • 2_STAR

synonym RELATED

  • cis-2-hydroxycyclohexyl-2-O-p-coumaroyl-beta-D-glucopyranoside

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:137985

Download this concept:

RDF/XML TURTLE JSON-LD