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CHEBI:70551 - 12beta-acetoxyhuratoxin

ChEBI IDCHEBI:70551
ChEBI Name12beta-acetoxyhuratoxin
Stars
DefinitionA natural product found in Pimelea elongata and Pimelea simplex.
Last Modified22 September 2014
DownloadsMolfile
FormulaC36H50O10
Net Charge0
Average Mass642.786
Monoisotopic Mass642.34040
SMILES[H][C@@]12C=C(C)C(=O)[C@@]1(O)[C@H](O)[C@@]1(CO)O[C@@]1([H])[C@@]1([H])[C@H]3O[C@]4(/C=C/C=C/CCCCCCCCC)O[C@@]3(C(=C)C)[C@H](OC(C)=O)[C@@H](C)[C@]21O4
InChIInChI=1S/C36H50O10/c1-7-8-9-10-11-12-13-14-15-16-17-18-33-44-30-26-29-32(20-37,43-29)31(40)34(41)25(19-22(4)27(34)39)36(26,46-33)23(5)28(42-24(6)38)35(30,45-33)21(2)3/h15-19,23,25-26,28-31,37,40-41H,2,7-14,20H2,1,3-6H3/b16-15+,18-17+/t23-,25-,26+,28-,29+,30-,31-,32+,33?,34-,35+,36+/m1/s1
InChIKeyADIURPPZKNTYEV-PGLHEYDMSA-N
Species of MetaboliteComponentSourceComments
Pimelea simplex (ncbitaxon:746341) - PubMed (21049973)
Pimelea elongata (IPNI:74472-3) foliage leaf (PO:0009025) PubMed (21049973) Airdried and milled foliage was soaked in 90% MeOH and extracted with MeOH
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)
12beta-acetoxyhuratoxin (CHEBI:70551) has role metabolite (CHEBI:25212)
12beta-acetoxyhuratoxin (CHEBI:70551) is a diterpenoid (CHEBI:23849)
Synonyms  Source
wikstroelide AChEBI
Pimelea simplex subtoxin AChEBI
Citations