EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226020 - Roselipin 3B

ChEBI IDCHEBI:226020
ChEBI NameRoselipin 3B
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)OC[C@@H](O)[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(18-42)53-40)27(9)15-24(6)32(45)22(4)14-23(5)33(46)25(7)16-28(10)39(51)52-19-30(44)34(47)29(43)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
InChIKeyGCBOFAMJKLBCMW-SHPANJRNSA-N
Species of MetaboliteComponentSourceComments
Clonostachys candelabrum (ncbitaxon:180436) - PubMed (20075977)
ChEBI Ontology
Outgoing Relation(s)
Roselipin 3B (CHEBI:226020) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl] 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
78445550ChemSpider