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CHEBI:223448 - Dactylfungin A

ChEBI IDCHEBI:223448
ChEBI NameDactylfungin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H64O9
Net Charge0
Average Mass700.954
Monoisotopic Mass700.45503
SMILESCCC(C)/C=C(C)/C=C/C=C(\C)CC(C)CC(C)CC(/C=C(C)/C=C/C(O)C(C)(C)c1cc(O)c(C2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1)CO
InChIInChI=1S/C41H64O9/c1-10-25(2)16-26(3)12-11-13-27(4)17-29(6)18-30(7)20-31(23-42)19-28(5)14-15-35(46)41(8,9)36-22-33(44)37(40(48)50-36)39-38(47)34(45)21-32(24-43)49-39/h11-16,19,22,25,29-32,34-35,38-39,42-47H,10,17-18,20-21,23-24H2,1-9H3/b12-11+,15-14+,26-16+,27-13+,28-19+/t25?,29?,30?,31?,32-,34-,35?,38+,39?/m0/s1
InChIKeyRFFNWAQLYUMOFF-DUAGGCEMSA-N
Species of MetaboliteComponentSourceComments
Dactylaria parvispora (ncbitaxon:202209) - PubMed (8436559)
ChEBI Ontology
Outgoing Relation(s)
Dactylfungin A (CHEBI:223448) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
3-[(3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-6-[(4E,6E,14E,16E,18E)-3-hydroxy-8-(hydroxymethyl)-2,6,10,12,14,18,20-heptamethyldocosa-4,6,14,16,18-pentaen-2-yl]pyran-2-one
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78445222ChemSpider