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شیمی بخش اول

Content language

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

Concept information

Preferred term

(9Z) 18 هیدروکسی اکتادک 9 انوئیک اسید O sophoroside  

Type

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

charge

  • 0

formula

  • C30H54O13

has_functional_parent

inchi

  • InChI=1S/C30H54O13/c31-18-20-23(35)25(37)27(39)29(41-20)43-28-26(38)24(36)21(19-32)42-30(28)40-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-22(33)34/h1-2,20-21,23-32,35-39H,3-19H2,(H,33,34)/b2-1-/t20-,21-,23-,24-,25+,26+,27-,28-,29+,30-/m1/s1

inchikey

  • SDMYLWZFOYLRNG-UTRUZEGLSA-N

is_conjugate_acid_of

mass

  • 622.749

monoisotopicmass

  • 622.35644

smiles

  • OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OCCCCCCCC/C=C/CCCCCCCC(O)=O)[C@H](O)[C@@H](O)[C@@H]1O

subset

  • 3_STAR

synonym EXACT

  • (9Z)-18-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]octadec-9-enoic acid

synonym RELATED

  • 18-hydroxyoleic acid 18-O-sophoroside

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:229691

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