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Concept information

organooxygen compound > ether > oceanalin a

Preferred term

oceanalin a  

Type

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

charge

  • 0

formula

  • C41H72N2O9

has_functional_parent

inchi

  • InChI=1S/C41H72N2O9/c1-29(42)36(51-41-40(49)39(48)38(47)37(28-44)52-41)23-19-15-10-8-6-4-3-5-7-9-12-16-20-31(50-2)21-17-13-11-14-18-22-33-32-27-35(46)34(45)26-30(32)24-25-43-33/h16,20,26-27,29,31,33,36-41,43-49H,3-15,17-19,21-25,28,42H2,1-2H3/b20-16+/t29-,31?,33?,36-,37-,38+,39+,40-,41-/m1/s1

inchikey

  • HIPXPNHGBRGNFB-WWQAAKFXSA-N

mass

  • 737.01840

monoisotopicmass

  • 736.52378

smiles

  • [H][C@@]1(O[C@H](CCCCCCCCCCCC/C=C/C(CCCCCCCC2NCCc3cc(O)c(O)cc23)OC)[C@@H](C)N)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

subset

  • 3_STAR

synonym EXACT

  • (2R,3R,16E)-2-amino-25-(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-18-methoxypentacos-16-en-3-yl beta-D-galactopyranoside

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66806

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