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CHEBI:68387 - flavalin D

ChEBI IDCHEBI:68387
ChEBI Nameflavalin D
Stars
DefinitionA sesquiterpenoid of the class of nardosinane-type terpenoids isolated from the Formosan soft coral Lemnalia flava.
Last Modified27 November 2013
DownloadsMolfile
FormulaC16H24O3
Net Charge0
Average Mass264.365
Monoisotopic Mass264.17254
SMILES[H][C@@]12C(=O)CC[C@@]3(C=CC[C@H](C)[C@]31C)O[C@@H](OC)[C@H]2C
InChIInChI=1S/C16H24O3/c1-10-6-5-8-16-9-7-12(17)13(15(10,16)3)11(2)14(18-4)19-16/h5,8,10-11,13-14H,6-7,9H2,1-4H3/t10-,11-,13+,14+,15-,16+/m0/s1
InChIKeyFVTXNULUHYXYOE-BQAALJAISA-N
Species of MetaboliteComponentSourceComments
Lemnalia flava (WORMS:288046) - PubMed (21204521) EtOAc extract of frozen, minced soft coral
Roles Classification
Biological Role:
coral metabolite  Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
ChEBI Ontology
Outgoing Relation(s)
flavalin D (CHEBI:68387) has role coral metabolite (CHEBI:76498)
flavalin D (CHEBI:68387) is a cyclic ether (CHEBI:37407)
flavalin D (CHEBI:68387) is a cyclic ketone (CHEBI:3992)
flavalin D (CHEBI:68387) is a organic heterotricyclic compound (CHEBI:26979)
flavalin D (CHEBI:68387) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S*,4aS*,8S*,8aS*,10R*,11S*)-10-methoxy-8,8a,11-trimethyl-1,3,4,7,8,8a-hexahydro-2H-4a,1-(epoxyethano)naphthalen-2-one
Synonym  Source
rel-(1S,5S,6S,7S,8S,9R)-9-methoxy-5,6,8-trimethyl-10-oxatricyclo[5.3.3.01,6]tridec-2-en-13-oneIUPAC
Registry NumbersSources
Reaxys:21306698Reaxys
Citations