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CHEBI:225604 - Xylodonin C

ChEBI IDCHEBI:225604
ChEBI NameXylodonin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O4
Net Charge0
Average Mass368.473
Monoisotopic Mass368.19876
SMILESCC1(C)CCC[C@]2(C)[C@H](O)C(C=O)=C[C@H](OC(=O)/C=C/c3ccccc3)[C@@H]12
InChIInChI=1S/C23H28O4/c1-22(2)12-7-13-23(3)20(22)18(14-17(15-24)21(23)26)27-19(25)11-10-16-8-5-4-6-9-16/h4-6,8-11,14-15,18,20-21,26H,7,12-13H2,1-3H3/b11-10+/t18-,20-,21+,23-/m0/s1
InChIKeyMBSDPPCRLFNZBS-OYANEBKRSA-N
Species of MetaboliteComponentSourceComments
Xylodon flaviporus (ncbitaxon:2173181) - PubMed (31599157)
ChEBI Ontology
Outgoing Relation(s)
Xylodonin C (CHEBI:225604) is a cinnamate ester (CHEBI:36087)
IUPAC Name 
[(1S,4S,4aS,8aS)-3-ormyl-4-hydroxy-4a,8,8-trimethyl-1,4,5,6,7,8a-hexahydronaphthalen-1-yl] (E)-3-phenylprop-2-enoate