Pseudopterosin G-J aglycone (CHEBI:69014)

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ChEBI Name	Pseudopterosin G-J aglycone

ChEBI ID	CHEBI:69014

Definition	A natural product found in Pseudopterogorgia elisabethae.

Stars	This entity has been manually annotated by a third party.

Supplier Information

Download	Molfile XML SDF

Formula

C20H28O2

Net Charge

Average Mass

300.43510

Monoisotopic Mass

300.20893

InChI

InChI=1S/C20H28O2/c1-10(2)8-14-9-12(4)15-7-6-11(3)16-18(15)17(14)13(5)19(21)20(16)22/h8,11-12,14-15,21-22H,6-7,9H2,1-5H3/t11-,12-,14+,15+/m0/s1

InChIKey

QYYIMVMYWAMAAS-DDHJSBNISA-N

SMILES

[H][C@@]12CC[C@H](C)c3c(O)c(O)c(C)c([C@@H](C[C@@H]1C)C=C(C)C)c23

Metabolite of Species	Details
Pseudopterogorgia elisabethae (NCBI:txid204377)	See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	Pseudopterosin G-J aglycone (CHEBI:69014) has role metabolite (CHEBI:25212) Pseudopterosin G-J aglycone (CHEBI:69014) is a diterpenoid (CHEBI:23849)

Synonym	Source
(4S,6S,6aR,9S)-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalene-1,2-diol	ChEBI

Citation	Type	Source
21978379	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:tetralins(CHEBI:36786); ISA:hydroxytoluene(CHEBI:24751); ISA:catechols(CHEBI:33566); ISA:toluenes(CHEBI:27024); ISA:polyol(CHEBI:26191); ISA:organic heterocyclic compound(CHEBI:24532); ISA:aromatic alcohol(CHEBI:33854);