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CHEBI:70539 - 6alpha,7alpha-Epoxy-4beta,5beta,9alpha,20-tetrahydroxy-13alpha-(2E,4E)-tetradeca-2,4-dienoyl-1-tiglien-3-one

ChEBI IDCHEBI:70539
ChEBI Name6alpha,7alpha-Epoxy-4beta,5beta,9alpha,20-tetrahydroxy-13alpha-(2E,4E)-tetradeca-2,4-dienoyl-1-tiglien-3-one
Stars
DefinitionA natural product found in Pimelea elongata and Pimelea simplex.
Last Modified22 September 2014
DownloadsMolfile
FormulaC34H50O8
Net Charge0
Average Mass586.766
Monoisotopic Mass586.35057
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@]2(O)[C@H](C)C[C@@]2(OC(=O)/C=C/C=C\CCCCCCCCC)C(C)(C)[C@@]12[H]
InChIInChI=1S/C34H50O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-24(36)41-32-19-22(3)33(39)23-18-21(2)27(37)34(23,40)29(38)31(20-35)28(42-31)25(33)26(32)30(32,4)5/h14-18,22-23,25-26,28-29,35,38-40H,6-13,19-20H2,1-5H3/b15-14-,17-16+/t22-,23+,25-,26-,28+,29-,31+,32+,33+,34-/m1/s1
InChIKeyBRIOQTDLFXBKFB-WETQLOSTSA-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)
6alpha,7alpha-Epoxy-4beta,5beta,9alpha,20-tetrahydroxy-13alpha-(2E,4E)-tetradeca-2,4-dienoyl-1-tiglien-3-one (CHEBI:70539) has role metabolite (CHEBI:25212)
6alpha,7alpha-Epoxy-4beta,5beta,9alpha,20-tetrahydroxy-13alpha-(2E,4E)-tetradeca-2,4-dienoyl-1-tiglien-3-one (CHEBI:70539) is a monoterpenoid (CHEBI:25409)
Synonym  Source
Pimelea simplex subtoxin BChEBI
Citations