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CHEBI:209651 - Ananstrep C

ChEBI IDCHEBI:209651
ChEBI NameAnanstrep C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O3
Net Charge0
Average Mass428.657
Monoisotopic Mass428.32905
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@]12O[C@@H]2[C@@H]3O
InChIInChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-21,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21-,24+,25+,26+,27+,28+/m0/s1
InChIKeyPCIZFQVDNDHRPP-ISAQDLBESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27153073)
ChEBI Ontology
Outgoing Relation(s)
Ananstrep C (CHEBI:209651) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(2R,5S,7S,9R,10R,12R,15R,16R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-1(11)-ene-5,10-diol
Manual XrefsDatabases
58196876ChemSpider