EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:180809 - 28-Homobrassinolide

ChEBI IDCHEBI:180809
ChEBI Name28-Homobrassinolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H50O6
Net Charge0
Average Mass494.713
Monoisotopic Mass494.36074
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@@H](CC)C(C)C
InChIInChI=1S/C29H50O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-33H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25+,26+,28+,29+/m0/s1
InChIKeyHJIKODJJEORHMZ-NNPZUXBVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
ChEBI Ontology
Outgoing Relation(s)
28-Homobrassinolide (CHEBI:180809) is a brassinosteroid (CHEBI:22921)
IUPAC Name 
(1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
Manual XrefsDatabases
9213514ChemSpider
Registry NumbersSources
CAS:74174-44-0ChemIDplus