skip to main content

Chemistry, part 1

Content language

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

Concept information

organooxygen compound > ascotrichester b

Preferred term

ascotrichester b  

Type

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

Broader concept

charge

  • 0

formula

  • C28H34O13

has_functional_parent

inchi

  • InChI=1S/C28H34O13/c1-13(29)5-23(34)39-15(3)7-18-10-20(31)12-22(33)26(18)28(38)41-16(4)8-24(35)40-14(2)6-17-9-19(30)11-21(32)25(17)27(36)37/h9-16,29-33H,5-8H2,1-4H3,(H,36,37)/t13-,14-,15-,16-/m1/s1

inchikey

  • BQGBVGBMHICNGZ-KLHDSHLOSA-N

mass

  • 578.567

monoisotopicmass

  • 578.19994

smiles

  • O=C(O[C@@H](CC(=O)O[C@@H](CC1=C(C(O)=CC(=C1)O)C(=O)O)C)C)C2=C(O)C=C(O)C=C2C[C@H](OC(=O)C[C@H](O)C)C

subset

  • 2_STAR

synonym EXACT

  • 2-[(2R)-2-[(3R)-3-[2,4-dihydroxy-6-[(2R)-2-[(3R)-3-hydroxybutanoyl]oxypropyl]benzoyl]oxybutanoyl]oxypropyl]-4,6-dihydroxybenzoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219962

Download this concept:

RDF/XML TURTLE JSON-LD