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CHEBI:200022 - Sarcodonin I

ChEBI IDCHEBI:200022
ChEBI NameSarcodonin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESC[C@H](CO)C1=C2C3=CC=C(C=O)C[C@H](O)[C@]3(C)CC[C@@]2(CO)CC1
InChIInChI=1S/C20H28O4/c1-13(10-21)15-5-6-20(12-23)8-7-19(2)16(18(15)20)4-3-14(11-22)9-17(19)24/h3-4,11,13,17,21,23-24H,5-10,12H2,1-2H3/t13-,17+,19-,20-/m1/s1
InChIKeyLYWUSVMTERQURN-ISJOWMGUSA-N
Species of MetaboliteComponentSourceComments
Sarcodon scabrosus (ncbitaxon:178525) - PubMed (16028205)
ChEBI Ontology
Outgoing Relation(s)
Sarcodonin I (CHEBI:200022) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3aS,5aR,6S)-6-hydroxy-3a-(hydroxymethyl)-1-[(2S)-1-hydroxypropan-2-yl]-5a-methyl-2,3,4,5,6,7-hexahydrocyclohepta[e]indene-8-carbaldehyde
Manual XrefsDatabases
28502369ChemSpider