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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > endocannabinoid > roselipin 3e
organooxygen compound > cannabinoid > endocannabinoid > roselipin 3e

Preferred term

roselipin 3e  

Type

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

Broader concept

charge

  • 0

formula

  • C40H70O14

inchi

  • InChI=1S/C40H70O14/c1-11-20(2)12-21(3)13-26(8)38(54-40-37(50)36(49)35(48)31(19-43)53-40)27(9)15-24(6)32(45)22(4)14-23(5)33(46)25(7)16-28(10)39(51)52-30(18-42)34(47)29(44)17-41/h13-16,20-22,25,27,29-38,40-50H,11-12,17-19H2,1-10H3/t20?,21?,22?,25?,27?,29-,30-,31-,32?,33?,34+,35-,36+,37+,38?,40+/m1/s1

inchikey

  • JFXVPWSIWULGDZ-SHPANJRNSA-N

mass

  • 774.986

monoisotopicmass

  • 774.47656

smiles

  • O=C(O[C@@H]([C@@H](O)[C@H](O)CO)CO)C(=CC(C(O)C(=CC(C(O)C(=CC(C(O[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@@H]1O)O)CO)C(=CC(CC(CC)C)C)C)C)C)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(2R,3S,4R)-1,3,4,5-tetrahydroxypentan-2-yl] 5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-13-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosa-2,6,10,14-tetraenoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202037

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