CHEBI:220462 - Roselipin 3C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Roselipin 3C
ChEBI ID CHEBI:220462
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H70O14
Net Charge 0
Average Mass 774.986
Monoisotopic Mass 774.47656
InChI InChI=1S/C40H70O14/c1-11-20(2)12-21(3)13-26(8)37(54-40-36(50)35(49)34(48)31(19-43)52-40)27(9)15-24(6)32(46)22(4)14-23(5)33(47)25(7)16-28(10)39(51)53-38(29(44)17-41)30(45)18-42/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?,40+/m1/s1
InChIKey GLFYCEYOBBTVGJ-KOIQDMCVSA-N
SMILES O=C(OC([C@H](O)CO)[C@H](O)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
Metabolite of Species Details
Clonostachys candelabrum (NCBI:txid180436) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via endocannabinoid )
cannabinoid receptor agonist
An agonist that binds to and activates cannabinoid receptors.
(via cannabinoid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Roselipin 3C (CHEBI:220462) is a endocannabinoid (CHEBI:67197)
IUPAC Name
[(2R,4R)-1,2,4,5-tetrahydroxypentan-3-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 Xref Database
78445542 ChemSpider
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