skip to main content

Chemistry, part 1

Content language

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

Concept information

organooxygen compound > ester > carboxylic ester > carbonate ester > phomoxin b
organooxygen compound > carbonyl compound > carboxylic ester > carbonate ester > phomoxin b
organooxygen compound > carbonates > carbonate ester > phomoxin b

Preferred term

phomoxin b  

Type

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

Broader concept

charge

  • 0

formula

  • C15H22O6

inchi

  • InChI=1S/C15H22O6/c1-2-3-4-5-6-7-9-10(8-16)13-14(12(18)11(9)17)21-15(19)20-13/h6-7,11-14,16-18H,2-5,8H2,1H3/b7-6+/t11-,12+,13-,14+/m1/s1

inchikey

  • WMCZZCUJTLXGPD-VEWCADAXSA-N

mass

  • 298.335

monoisotopicmass

  • 298.14164

smiles

  • O=C1O[C@@H]2C(=C(/C=C/CCCCC)[C@H]([C@@H]([C@@H]2O1)O)O)CO

subset

  • 2_STAR

synonym EXACT

  • (3aS,4S,5R,7aR)-6-[(E)-hept-1-enyl]-4,5-dihydroxy-7-(hydroxymethyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222811

Download this concept:

RDF/XML TURTLE JSON-LD