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CHEBI:210643 - Neosarcodonin O

ChEBI IDCHEBI:210643
ChEBI NameNeosarcodonin O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O3
Net Charge0
Average Mass332.484
Monoisotopic Mass332.23514
SMILESCO[C@H]1C(C=O)=CCC2C3=C(C(C)C)CC[C@]3(C)CC[C@@]2(C)[C@H]1O
InChIInChI=1S/C21H32O3/c1-13(2)15-8-9-20(3)10-11-21(4)16(17(15)20)7-6-14(12-22)18(24-5)19(21)23/h6,12-13,16,18-19,23H,7-11H2,1-5H3/t16?,18-,19-,20+,21+/m0/s1
InChIKeyCSMSQWRDDWOVOS-BNWQVIHTSA-N
Species of MetaboliteComponentSourceComments
Sarcodon scabrosus (ncbitaxon:178525) - PubMed (15215604)
ChEBI Ontology
Outgoing Relation(s)
Neosarcodonin O (CHEBI:210643) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3aR,5aR,6R,7S)-6-hydroxy-7-methoxy-3a,5a-dimethyl-1-propan-2-yl-2,3,4,5,6,7,10,10a-octahydrocyclohepta[e]indene-8-carbaldehyde
Manual XrefsDatabases
78437424ChemSpider