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CHEBI:198379 - Dankasterone B

ChEBI IDCHEBI:198379
ChEBI NameDankasterone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O3
Net Charge0
Average Mass426.641
Monoisotopic Mass426.31340
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC(=O)[C@]23CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]2CC[C@]13C
InChIInChI=1S/C28H42O3/c1-17(2)18(3)7-8-19(4)21-9-10-25(31)28-16-23(30)22-15-20(29)11-13-26(22,5)24(28)12-14-27(21,28)6/h7-8,17-19,21-22,24H,9-16H2,1-6H3/b8-7+/t18-,19+,21+,22-,24+,26-,27+,28-/m0/s1
InChIKeyGERUCBMNWOYIOR-NLEPFULASA-N
Species of MetaboliteComponentSourceComments
Gymnascella dankaliensis (ncbitaxon:166389) - PubMed (17988094)
ChEBI Ontology
Outgoing Relation(s)
Dankasterone B (CHEBI:198379) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,4R,9R,10R,13R,14R)-14-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-9,13-dimethyltetracyclo[8.7.0.01,13.04,9]heptadecane-3,6,17-trione
Manual XrefsDatabases
23076734ChemSpider