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CHEBI:192911 - Lagaspholones A

ChEBI IDCHEBI:192911
ChEBI NameLagaspholones A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILES[H][C@]12C(=C)CC[C@]3([H])C(C)(C)[C@]3([H])[C@]1([H])[C@@](C)(O)[C@H](O)C1=C2C(=O)[C@@H](C)C1
InChIInChI=1S/C20H28O3/c1-9-6-7-12-15(19(12,3)4)16-13(9)14-11(8-10(2)17(14)21)18(22)20(16,5)23/h10,12-13,15-16,18,22-23H,1,6-8H2,2-5H3/t10-,12-,13+,15-,16+,18+,20+/m0/s1
InChIKeyDUFLULHNEVXHJR-MTCSHUKASA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Lagaspholones A (CHEBI:192911) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,4S,7R,8R,9S,10S,12S)-7,8-dihydroxy-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadec-2(6)-en-3-one
Manual XrefsDatabases
24846812ChemSpider