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

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ChEBI Name 6alpha,7alpha-Epoxy-4beta,5beta,9alpha,20-tetrahydroxy-13alpha-(2E,4E)-tetradeca-2,4-dienoyl-1-tiglien-3-one
ChEBI ID CHEBI:70539
Definition A natural product found in Pimelea elongata and Pimelea simplex.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C34H50O8
Net Charge 0
Average Mass 586.75600
Monoisotopic Mass 586.35057
InChI InChI=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
InChIKey BRIOQTDLFXBKFB-WETQLOSTSA-N
SMILES [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@@]1(O)[C@H](C)C[C@]3(OC(=O)\C=C\C=C/CCCCCCCCC)[C@]([H])([C@]21[H])C3(C)C
Metabolite of Species Details
Pimelea elongata (IPNI:74472-3) Found in foliage leaf (PO:0009025). Airdried and milled foliage was soaked in 90% MeOH and extracted with MeOH See: PubMed
Pimelea simplex (NCBI:txid746341) 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.
(via 6alpha,7alpha-Epoxy-4beta,5beta,9alpha,20-tetrahydroxy-13alpha-(2E,4E)-tetradeca-2,4-dienoyl-1-tiglien-3-one )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 B ChEBI
Citation Waiting for Citations Type Source
21049973 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:enoate ester(CHEBI:51702); ISA:ketone(CHEBI:17087); ISA:polyol(CHEBI:26191); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:epoxide(CHEBI:32955); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:primary alcohol(CHEBI:15734);