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CHEBI:197564 - 3alpha,6beta,16beta,17,18-pentahydroxyaphidicolane

ChEBI IDCHEBI:197564
ChEBI Name3alpha,6beta,16beta,17,18-pentahydroxyaphidicolane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O5
Net Charge0
Average Mass354.487
Monoisotopic Mass354.24062
SMILESC[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1[C@H](O)C[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)CO
InChIInChI=1S/C20H34O5/c1-17(10-21)15(24)3-4-18(2)16(17)14(23)8-12-7-13-9-19(12,18)5-6-20(13,25)11-22/h12-16,21-25H,3-11H2,1-2H3/t12-,13-,14-,15-,16+,17-,18+,19+,20+/m1/s1
InChIKeySOPHJADXFALVLH-YLNIWBQCSA-N
Species of MetaboliteComponentSourceComments
Akanthomyces muscarius (ncbitaxon:2231603) - DOI (10.1016/0031-9422(92)80018-a)
ChEBI Ontology
Outgoing Relation(s)
3alpha,6beta,16beta,17,18-pentahydroxyaphidicolane (CHEBI:197564) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2S,5R,6R,7R,8R,10R,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,8,13-triol
Manual XrefsDatabases
4572676ChemSpider