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CHEBI:202037 - Roselipin 3E

ChEBI IDCHEBI:202037
ChEBI NameRoselipin 3E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H70O14
Net Charge0
Average Mass774.986
Monoisotopic Mass774.47656
SMILESCCC(C)CC(C)C=C(C)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(=O)O[C@H](CO)[C@@H](O)[C@H](O)CO
InChIInChI=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
InChIKeyJFXVPWSIWULGDZ-SHPANJRNSA-N
Species of MetaboliteComponentSourceComments
Clonostachys candelabrum (ncbitaxon:180436) - PubMed (20075977)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
cannabinoid receptor agonist  An agonist that binds to and activates cannabinoid receptors.
cannabinoid receptor agonist  An agonist that binds to and activates cannabinoid receptors.
ChEBI Ontology
Outgoing Relation(s)
Roselipin 3E (CHEBI:202037) is a endocannabinoid (CHEBI:67197)
IUPAC Name 
[(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
Manual XrefsDatabases
78445502ChemSpider