CHEBI:67665 - Xerophilusin N

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ChEBI Name Xerophilusin N
ChEBI ID CHEBI:67665
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 C20H26O6
Net Charge 0
Average Mass 362.41680
Monoisotopic Mass 362.17294
InChI InChI=1S/C20H26O6/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/h10-12,14-15,22-23,25H,1,4-8H2,2-3H3/t10-,11+,12-,14-,15+,18-,19+,20-/m1/s1
InChIKey CGLKYUSLUAHYRT-LTLNESCBSA-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]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.
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ChEBI Ontology
Outgoing Xerophilusin N (CHEBI:67665) has role metabolite (CHEBI:25212)
Xerophilusin N (CHEBI:67665) is a diterpene lactone (CHEBI:49193)
Manual Xref Database
23311667 ChemSpider
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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:ketone(CHEBI:17087); ISA:hemiacetal(CHEBI:5653); ISA:polyol(CHEBI:26191); ISA:organic hydroxy compound(CHEBI:33822); ISA:carboxylic ester(CHEBI:33308);