CHEBI:69560 - lobophytumin B

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ChEBI Name lobophytumin B
ChEBI ID CHEBI:69560
Definition A diterpenoid that is cyclodeca-1,6-diene substituted by a methyl group at position 8, a methylidene group at position 4 and a 6-methyl-4-oxoheptan-2-yl group at position 1. It has been isolated from from the Hainan soft coral Lobophytum cristatum.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H32O
Net Charge 0
Average Mass 288.46750
Monoisotopic Mass 288.24532
InChI InChI=1S/C20H32O/c1-15(2)13-20(21)14-18(5)19-11-9-16(3)7-6-8-17(4)10-12-19/h8-9,11,15,18-19H,3,6-7,10,12-14H2,1-2,4-5H3/b11-9+,17-8+/t18?,19-/m1/s1
InChIKey WCPMPLJZWAHSJJ-SILMOEHZSA-N
SMILES CC(C)CC(=O)CC(C)[C@H]1CCC(C)=CCCC(=C)\C=C\1
Metabolite of Species Details
Lobophytum cristatum (WORMS:288778) small frozen pieces of sample were extracted with acetone. 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 lobophytumin B (CHEBI:69560) has role coral metabolite (CHEBI:76498)
lobophytumin B (CHEBI:69560) is a diterpenoid (CHEBI:23849)
lobophytumin B (CHEBI:69560) is a ketone (CHEBI:17087)
IUPAC Name
2-methyl-6-[(1R,2E)-8-methyl-4-methylidenecyclodeca-2,7-dien-1-yl]heptan-4-one
Registry Number Type Source
21975506 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21954851 PubMed citation Europe PMC
Last Modified
01 October 2014