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CHEBI:198737 - 3-deoxyaphidicolin

ChEBI IDCHEBI:198737
ChEBI Name3-deoxyaphidicolin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O3
Net Charge0
Average Mass322.489
Monoisotopic Mass322.25079
SMILESC[C@@]1(CO)CCC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)CO
InChIInChI=1S/C20H34O3/c1-17(12-21)6-3-7-18(2)16(17)5-4-14-10-15-11-19(14,18)8-9-20(15,23)13-22/h14-16,21-23H,3-13H2,1-2H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1
InChIKeyVHWTVINEPPOCLA-DTMQFJJTSA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - PubMed (6402759)
ChEBI Ontology
Outgoing Relation(s)
3-deoxyaphidicolin (CHEBI:198737) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2S,6R,7R,10S,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol
Manual XrefsDatabases
64849571ChemSpider