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CHEBI:70549 - huratoxin

Default Structure
ChEBI IDCHEBI:70549
ChEBI Namehuratoxin
Stars
Secondary ChEBI IDCHEBI:5771
Last Modified28 July 2014
DownloadsMolfile
FormulaC34H48O8
Net Charge0
Average Mass584.750
Monoisotopic Mass584.33492
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@@]21[C@H](C)C[C@]3(C(=C)C)O4
InChIInChI=1S/C34H48O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-32-40-27-25-28-31(20-35,39-28)29(37)33(38)24(18-22(4)26(33)36)34(25,42-32)23(5)19-30(27,41-32)21(2)3/h14-18,23-25,27-29,35,37-38H,2,6-13,19-20H2,1,3-5H3/b15-14+,17-16+/t23-,24-,25-,27-,28+,29-,30-,31+,32?,33-,34+/m1/s1
InChIKeyVWGORPXMXKBHER-GPLJIMSFSA-N
Species of MetaboliteComponentSourceComments
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)
huratoxin (CHEBI:70549) has role metabolite (CHEBI:25212)
huratoxin (CHEBI:70549) is a organic molecular entity (CHEBI:50860)
Synonym  Source
HuratoxinKEGG COMPOUND
Manual XrefsDatabases
C00003435KNApSAcK
C09108KEGG COMPOUND
Registry NumbersSources
CAS:33465-16-6KEGG COMPOUND
CAS:33465-16-6ChemIDplus
Citations