EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:166786 - Dolicholide

Default Structure
ChEBI IDCHEBI:166786
ChEBI NameDolicholide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O6
Net Charge0
Average Mass478.670
Monoisotopic Mass478.32944
SMILES[H][C@@]12COC(=O)[C@@]3([H])C[C@H](O)[C@H](O)C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)[C@@H](O)[C@H](O)C(=C)C(C)C
InChIInChI=1S/C28H46O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14,16-25,29-32H,3,7-13H2,1-2,4-6H3/t16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1
InChIKeyPPFRJNLKWADOTL-WOGJWQOOSA-N
ChEBI Ontology
Outgoing Relation(s)
Dolicholide (CHEBI:166786) is a brassinosteroid (CHEBI:22921)
IUPAC Name 
(1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R)-3,4-dihydroxy-6-methyl-5-methylideneheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
Manual XrefsDatabases
9213318ChemSpider