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CHEBI:70380 - Xerophilusin H

ChEBI IDCHEBI:70380
ChEBI NameXerophilusin H
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H30O7
Net Charge0
Average Mass406.475
Monoisotopic Mass406.19915
SMILES[H][C@@]12CC[C@@H]3C[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@]23[C@H](O)CC[C@@](C)(COC(C)=O)[C@@]3([H])[C@@H]1O
InChIInChI=1S/C22H30O7/c1-11-13-4-5-14-20-10-29-22(27,21(14,8-13)17(11)25)18(26)16(20)19(3,7-6-15(20)24)9-28-12(2)23/h13-16,18,24,26-27H,1,4-10H2,2-3H3/t13?,14-,15+,16+,18-,19-,20+,21-,22-/m0/s1
InChIKeyUDOQTYDWKGQXFY-ADBZDOHZSA-N
Species of MetaboliteComponentSourceComments
Isodon eriocalyx (IPNI:448573-1) aerial part (BTO:0001658) PubMed (20949916) 70% aqueous Me2CO extract of air-dried and powdered aerial parts
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Xerophilusin H (CHEBI:70380) has role metabolite (CHEBI:25212)
Xerophilusin H (CHEBI:70380) is a kaurane diterpenoid (CHEBI:53666)
Synonym  Source
(1beta,5beta,6beta,7alpha,8alpha,9beta,10alpha)-1,6,7-Trihydroxy-15-oxo-7,20-epoxykaur-16-en-18-yl acetateChEBI
Citations