lobophytumin B (CHEBI:69560)

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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	ZINC000031168439

Download	Molfile XML SDF

Formula

C20H32O

Net Charge

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).

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	Type	Source
21954851	PubMed citation	Europe PMC

Last Modified

01 October 2014