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CHEBI:192917 - Annoglabasin A

ChEBI IDCHEBI:192917
ChEBI NameAnnoglabasin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O5
Net Charge0
Average Mass390.520
Monoisotopic Mass390.24062
SMILES[H][C@@]12CCC3[C@@](CCC4[C@@]3(C)CCC[C@@]4(C)C=O)(C1)C[C@@]2(OC(C)=O)C(=O)OC
InChIInChI=1S/C23H34O5/c1-15(25)28-23(19(26)27-4)13-22-11-8-17-20(2,14-24)9-5-10-21(17,3)18(22)7-6-16(23)12-22/h14,16-18H,5-13H2,1-4H3/t16-,17?,18?,20+,21-,22+,23+/m1/s1
InChIKeyGBAYHCBQSSWKTG-JTJIPXNHSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Annoglabasin A (CHEBI:192917) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
methyl (1S,5R,9S,13R,14S)-14-acetyloxy-5-ormyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylate
Manual XrefsDatabases
412577ChemSpider