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CHEBI:180744 - Schleicherastatin 2

ChEBI IDCHEBI:180744
ChEBI NameSchleicherastatin 2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H52O3
Net Charge0
Average Mass460.743
Monoisotopic Mass460.39165
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)[C@H](O)C[C@@H](CC)C(C)C)[C@]1([H])[C@H](OC)C=C1C[C@@H](O)CC[C@@]12C
InChIInChI=1S/C30H52O3/c1-8-20(18(2)3)15-26(32)19(4)23-9-10-24-28-25(12-14-30(23,24)6)29(5)13-11-22(31)16-21(29)17-27(28)33-7/h17-20,22-28,31-32H,8-16H2,1-7H3/t19-,20+,22-,23+,24-,25-,26+,27+,28-,29-,30+/m0/s1
InChIKeyGDNMTUAJVKFDCM-YCIPJHSJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood serum (BTO:0000133) MetaboLights (MTBLS2150)
blood serum (BTO:0000133) MetaboLights (MTBLS2150)
blood serum (BTO:0000133) MetaboLights (MTBLS2150)
ChEBI Ontology
Outgoing Relation(s)
Schleicherastatin 2 (CHEBI:180744) has parent hydride stigmastane (CHEBI:26773)
Schleicherastatin 2 (CHEBI:180744) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-7-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
8679590ChemSpider