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CHEBI:207188 - Plicatilisin C

ChEBI IDCHEBI:207188
ChEBI NamePlicatilisin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILESCC(C)[C@H]1[C@@H](O)[C@H](O)C2=CC3=C(CO)CCC[C@@]3(C)CC[C@@]21C
InChIInChI=1S/C20H32O3/c1-12(2)16-18(23)17(22)15-10-14-13(11-21)6-5-7-19(14,3)8-9-20(15,16)4/h10,12,16-18,21-23H,5-9,11H2,1-4H3/t16-,17+,18+,19-,20-/m0/s1
InChIKeyMINQDQAGQOTQDE-MDMHHNQBSA-N
Species of MetaboliteComponentSourceComments
Coprinus (ncbitaxon:5345) - PubMed (22749279)
ChEBI Ontology
Outgoing Relation(s)
Plicatilisin C (CHEBI:207188) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
(1R,2R,3R,3aR,5aS)-9-(hydroxymethyl)-3a,5a-dimethyl-3-propan-2-yl-1,2,3,4,5,6,7,8-octahydrobenzo[g]azulene-1,2-diol
Manual XrefsDatabases
28516054ChemSpider