CHEBI:67677 - Longikaurin A

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ChEBI Name Longikaurin A
ChEBI ID CHEBI:67677
Definition A natural product found in Isodon adenolomus.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H28O5
Net Charge 0
Average Mass 348.43330
Monoisotopic Mass 348.19367
InChI InChI=1S/C20H28O5/c1-10-11-5-6-12-18-8-4-7-17(2,3)13(18)16(23)20(24,25-9-18)19(12,14(10)21)15(11)22/h11-13,15-16,22-24H,1,4-9H2,2-3H3/t11-,12+,13-,15-,16+,18-,19+,20-/m1/s1
InChIKey PSVHVXLCVSKJGM-NIPWPZGFSA-N
SMILES [H][C@]12CC[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](O)[C@@](O)(OC5)[C@]3([C@@H]1O)C(=O)C2=C
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 Longikaurin A (CHEBI:67677) has role metabolite (CHEBI:25212)
Longikaurin A (CHEBI:67677) is a kaurane diterpenoid (CHEBI:53666)
Synonym Source
ent-Kaur-16-en-15-one, 7,20-epoxy-6,7,14-trihydroxy-,(6beta,7alpha,14R)- ChEBI
Registry Number Type Source
75207-67-9 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:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:ketone(CHEBI:17087); ISA:hemiacetal(CHEBI:5653); ISA:organic hydroxy compound(CHEBI:33822);