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CHEBI:224862 - Phlebiakauranol aldehyde

ChEBI IDCHEBI:224862
ChEBI NamePhlebiakauranol aldehyde
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O6
Net Charge0
Average Mass366.454
Monoisotopic Mass366.20424
SMILESCC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@](O)(C=O)[C@@](O)(C1)[C@@H](O)C(=O)[C@@]32O
InChIInChI=1S/C20H30O6/c1-15(2)6-4-7-16(3)12(15)5-8-17-9-18(24,11-21)19(25,10-17)13(22)14(23)20(16,17)26/h11-13,22,24-26H,4-10H2,1-3H3/t12-,13+,16-,17-,18+,19-,20+/m1/s1
InChIKeyYRNWJHCNUMMHJM-MSSXRYPISA-N
Species of MetaboliteComponentSourceComments
Punctularia (ncbitaxon:133746) - PubMed (3583914)
ChEBI Ontology
Outgoing Relation(s)
Phlebiakauranol aldehyde (CHEBI:224862) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
(1S,4R,9R,10R,12R,13R,14R)-10,12,13,14-tetrahydroxy-5,5,9-trimethyl-11-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-14-carbaldehyde
Manual XrefsDatabases
78443263ChemSpider