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CHEBI:217883 - Neosarcodonin A

ChEBI IDCHEBI:217883
ChEBI NameNeosarcodonin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O4
Net Charge0
Average Mass348.483
Monoisotopic Mass348.23006
SMILESCO[C@H]1C(C=O)=CC[C@@H]2C3=C(C(C)CO)CC[C@]3(C)CC[C@@]2(C)[C@H]1O
InChIInChI=1S/C21H32O4/c1-13(11-22)15-7-8-20(2)9-10-21(3)16(17(15)20)6-5-14(12-23)18(25-4)19(21)24/h5,12-13,16,18-19,22,24H,6-11H2,1-4H3/t13?,16-,18+,19+,20-,21-/m1/s1
InChIKeyKIJQNYNQHIZOJO-UUPRHNGRSA-N
Species of MetaboliteComponentSourceComments
Sarcodon scabrosus (ncbitaxon:178525) - PubMed (11866103)
ChEBI Ontology
Outgoing Relation(s)
Neosarcodonin A (CHEBI:217883) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3aR,5aR,6R,7S,10aR)-6-hydroxy-1-(1-hydroxypropan-2-yl)-7-methoxy-3a,5a-dimethyl-2,3,4,5,6,7,10,10a-octahydrocyclohepta[e]indene-8-carbaldehyde
Manual XrefsDatabases
78438147ChemSpider