CHEBI:67679 - Rabdoternin A

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ChEBI Name Rabdoternin A
ChEBI ID CHEBI:67679
Definition A natural product found in Isodon adenolomus.
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
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Formula C20H28O6
Net Charge 0
Average Mass 364.43270
Monoisotopic Mass 364.18859
InChI InChI=1S/C20H28O6/c1-9-10-5-6-11-18-8-4-7-17(2,3)12(18)15(23)20(25,26-16(18)24)19(11,13(9)21)14(10)22/h10-15,21-23,25H,1,4-8H2,2-3H3/t10-,11+,12-,13-,14-,15+,18-,19+,20-/m1/s1
InChIKey DWBNAAUVBIEEOE-PGBLAOAPSA-N
SMILES [H][C@@]12CC[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](O)[C@@](O)(OC5=O)[C@@]3([C@H](O)C1=C)[C@@H]2O
Metabolite of Species Details
Isodon adenolomus (NCBI:txid662903) Found in aerial part (BTO:0001658). 70% aqueous acetone extract of air-dried and powdered aerial parts 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Rabdoternin A (CHEBI:67679) has role metabolite (CHEBI:25212)
Rabdoternin A (CHEBI:67679) is a diterpene lactone (CHEBI:49193)
Synonym Source
ent-Kaur-16-en-20-oic acid, 6,7,7,14,15-pentahydroxy-, 20,7-lactone, (6beta,7alpha,14R,15beta)- ChEBI
Registry Number Type Source
128887-80-9 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21534539 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:kaurane diterpenoid(CHEBI:53666); ISA:delta-lactone(CHEBI:18946); ISA:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:organic hydroxy compound(CHEBI:33822); ISA:hemiacetal(CHEBI:5653); ISA:carbonyl compound(CHEBI:36586);