CHEBI:68387 - flavalin D

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ChEBI Name flavalin D
ChEBI ID CHEBI:68387
Definition A sesquiterpenoid of the class of nardosinane-type terpenoids isolated from the Formosan soft coral Lemnalia flava.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB9463336, eMolecules:30512482, eMolecules:2726153, ZINC000003881958
Download Molfile XML SDF
Formula C16H24O3
Net Charge 0
Average Mass 264.36000
Monoisotopic Mass 264.17254
InChI InChI=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
InChIKey FVTXNULUHYXYOE-BQAALJAISA-N
SMILES [H][C@@]12[C@H](C)[C@H](OC)O[C@@]3(CCC1=O)C=CC[C@H](C)[C@@]23C
Metabolite of Species Details
Lemnalia flava (WORMS:288046) EtOAc extract of frozen, minced soft coral See: PubMed
Roles Classification
Biological Role(s): coral metabolite
Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-one IUPAC
Registry Number Type Source
21306698 Reaxys Registry Number Reaxys
Citation Type Source
21204521 PubMed citation Europe PMC
Last Modified
27 November 2013