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CHEBI:212100 - Roselipin 1B

ChEBI IDCHEBI:212100
ChEBI NameRoselipin 1B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H72O14
Net Charge0
Average Mass777.002
Monoisotopic Mass776.49221
SMILESCCC(C)CC(C)CC(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/C40H72O14/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/h14-16,20-22,25-27,29-38,40-50H,11-13,17-19H2,1-10H3/b23-14+,24-15+,28-16+/t20?,21?,22?,25?,26?,27?,29-,30-,31-,32?,33?,34-,35-,36+,37+,38?,40+/m1/s1
InChIKeyPQKVMUDGLBZIJJ-BVQPZGNTSA-N
Species of MetaboliteComponentSourceComments
Gliocladium (ncbitaxon:62887) - PubMed (10580381)
ChEBI Ontology
Outgoing Relation(s)
Roselipin 1B (CHEBI:212100) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl] (2E,6E,10E)-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-trienoate
Manual XrefsDatabases
8525721ChemSpider