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CHEBI:199630 - 16beta,17-dihydroxyaphidicolan-18-oic acid

ChEBI IDCHEBI:199630
ChEBI Name16beta,17-dihydroxyaphidicolan-18-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESC[C@@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)CO
InChIInChI=1S/C20H32O4/c1-17(16(22)23)6-3-7-18(2)15(17)5-4-13-10-14-11-19(13,18)8-9-20(14,24)12-21/h13-15,21,24H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15-,17+,18-,19-,20-/m0/s1
InChIKeyTUXGKIQTTZXVJX-XKNDNFIYSA-N
Species of MetaboliteComponentSourceComments
Akanthomyces muscarius (ncbitaxon:2231603) - DOI (10.1016/s0031-9422(97)00576-1)
ChEBI Ontology
Outgoing Relation(s)
16beta,17-dihydroxyaphidicolan-18-oic acid (CHEBI:199630) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2S,6R,7R,10S,12R,13R)-13-hydroxy-13-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-6-carboxylic acid
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78436522ChemSpider