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CHEBI:214526 - Pycnophorin

ChEBI IDCHEBI:214526
ChEBI NamePycnophorin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O4
Net Charge0
Average Mass428.613
Monoisotopic Mass428.29266
SMILESCC(C)=CCC[C@H]1C(=O)CC[C@H]2C[C@@](C)(CCc3c(O)c(C)c(C)oc3=O)CC[C@@]21C
InChIInChI=1S/C27H40O4/c1-17(2)8-7-9-22-23(28)11-10-20-16-26(5,14-15-27(20,22)6)13-12-21-24(29)18(3)19(4)31-25(21)30/h8,20,22,29H,7,9-16H2,1-6H3/t20-,22-,26-,27-/m0/s1
InChIKeyFPYZZNAGOQEQIN-LQMNMMRTSA-N
Species of MetaboliteComponentSourceComments
Botryosphaeria kuwatsukai (ncbitaxon:2021124) - DOI (10.1016/s0040-4039(00)84464-0)
ChEBI Ontology
Outgoing Relation(s)
Pycnophorin (CHEBI:214526) is a pyranone (CHEBI:37963)
IUPAC Name 
3-[2-[(2R,4aS,5R,8aS)-2,4a-dimethyl-5-(4-methylpent-3-enyl)-6-oxo-3,4,5,7,8,8a-hexahydro-1H-naphthalen-2-yl]ethyl]-4-hydroxy-5,6-dimethylpyran-2-one
Manual XrefsDatabases
78438584ChemSpider