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CHEBI:198760 - Neosarcodonin C

ChEBI IDCHEBI:198760
ChEBI NameNeosarcodonin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O5
Net Charge0
Average Mass380.525
Monoisotopic Mass380.25627
SMILESCO[C@H]1[C@H]2C(O)O[C@@H]1[C@]1(C)CC[C@@]3(C)CCC(C(C)CO)=C3[C@H]1C[C@H]2OC
InChIInChI=1S/C22H36O5/c1-12(11-23)13-6-7-21(2)8-9-22(3)14(17(13)21)10-15(25-4)16-18(26-5)19(22)27-20(16)24/h12,14-16,18-20,23-24H,6-11H2,1-5H3/t12?,14-,15-,16+,18+,19+,20?,21-,22-/m1/s1
InChIKeyBRTUEJWZRSMTSY-LBNQWDEXSA-N
Species of MetaboliteComponentSourceComments
Sarcodon scabrosus (ncbitaxon:178525) - PubMed (11866103)
ChEBI Ontology
Outgoing Relation(s)
Neosarcodonin C (CHEBI:198760) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2R,5R,10R,12R,13S,16S)-8-(1-hydroxypropan-2-yl)-12,16-dimethoxy-2,5-dimethyl-15-oxatetracyclo[11.2.1.02,10.05,9]hexadec-8-en-14-ol
Manual XrefsDatabases
8198260ChemSpider