skip to main content

Chemistry, part 1

Content language

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

Concept information

organooxygen compound > botryoanhydride

Preferred term

botryoanhydride  

Type

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

Broader concept

charge

  • 0

formula

  • C18H22O7

has_functional_parent

inchi

  • InChI=1S/C18H22O7/c1-3-4-9-11-14(21)25-16(23)18(11)6-5-17(9)10(7-8(2)12(18)19)13(20)24-15(17)22/h8-12,19H,3-7H2,1-2H3/t8-,9+,10-,11-,12+,17+,18-/m0/s1

inchikey

  • FQGPVVLWZKYVBX-CVOXQCQQSA-N

mass

  • 350.367

monoisotopicmass

  • 350.13655

smiles

  • O=C1OC(=O)[C@H]2[C@@]13[C@H](O)[C@H](C[C@H]4C(=O)OC([C@@]4([C@@H]2CCC)CC3)=O)C

subset

  • 2_STAR

synonym EXACT

  • (1S,2R,3S,5R,9R,10R,11R)-2-hydroxy-3-methyl-10-propyl-7,13-dioxatetracyclo[7.5.2.01,11.05,9]hexadecane-6,8,12,14-tetrone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220795

Download this concept:

RDF/XML TURTLE JSON-LD