CHEBI:70551 - 12beta-acetoxyhuratoxin

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ChEBI Name 12beta-acetoxyhuratoxin
ChEBI ID CHEBI:70551
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 C36H50O10
Net Charge 0
Average Mass 642.77620
Monoisotopic Mass 642.34040
InChI InChI=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
InChIKey ADIURPPZKNTYEV-PGLHEYDMSA-N
SMILES [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@]13O[C@]4(O[C@H]([C@]21[H])[C@@](O4)([C@H](OC(C)=O)[C@H]3C)C(C)=C)\C=C\C=C\CCCCCCCCC
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 12beta-acetoxyhuratoxin (CHEBI:70551) has role metabolite (CHEBI:25212)
12beta-acetoxyhuratoxin (CHEBI:70551) is a diterpenoid (CHEBI:23849)
Synonyms Sources
Pimelea simplex subtoxin A ChEBI
wikstroelide A 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:oxacycle(CHEBI:38104); ISA:ortho ester(CHEBI:71989); ISA:dioxanes(CHEBI:46926); ISA:tertiary alcohol(CHEBI:26878); ISA:dioxolane(CHEBI:39430); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:ketone(CHEBI:17087); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:epoxide(CHEBI:32955); ISA:primary alcohol(CHEBI:15734);