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CHEBI:69559 - lobophytumin A

ChEBI IDCHEBI:69559
ChEBI Namelobophytumin A
Stars
DefinitionA diterpenoid that is cyclodeca-1,6-diene substituted by a methyl group at position 8, a methylidene group at position 4 and a 2-methyl-4-oxohept-2-en-6-yl group at position 1. It has been isolated from the Hainan soft coral Lobophytum cristatum.
Last Modified1 October 2014
DownloadsMolfile
FormulaC20H30O
Net Charge0
Average Mass286.459
Monoisotopic Mass286.22967
SMILES[H][C@@]1(C(C)CC(=O)C=C(C)C)/C=C/C(=C)CC/C=C(\C)CC1
InChIInChI=1S/C20H30O/c1-15(2)13-20(21)14-18(5)19-11-9-16(3)7-6-8-17(4)10-12-19/h8-9,11,13,18-19H,3,6-7,10,12,14H2,1-2,4-5H3/b11-9+,17-8+/t18?,19-/m1/s1
InChIKeySBHIRCGPIWGBMU-SILMOEHZSA-N
Species of MetaboliteComponentSourceComments
Lobophytum cristatum (WORMS:288778) - PubMed (21954851) small frozen pieces of sample were extracted with acetone.
Roles Classification
Biological Role:
coral metabolite  Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
ChEBI Ontology
Outgoing Relation(s)
lobophytumin A (CHEBI:69559) has role coral metabolite (CHEBI:76498)
lobophytumin A (CHEBI:69559) is a diterpenoid (CHEBI:23849)
lobophytumin A (CHEBI:69559) is a enone (CHEBI:51689)
IUPAC Name 
2-methyl-6-[(1R,2E,7Z)-8-methyl-4-methylidenecyclodeca-2,7-dien-1-yl]hept-2-en-4-one
Registry NumbersSources
Reaxys:21975507Reaxys
Citations