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CHEBI:70541 - rel-1,2-Dihydro-5-hydroxy-9'S-methyl-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-1alpha-decenoate-resiniferonol-10'-oic acid

ChEBI IDCHEBI:70541
ChEBI Namerel-1,2-Dihydro-5-hydroxy-9'S-methyl-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-1alpha-decenoate-resiniferonol-10'-oic acid
Stars
DefinitionA natural product found in Pimelea elongata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H46O10
Net Charge0
Average Mass590.710
Monoisotopic Mass590.30910
SMILES[H][C@@]12[C@H](C)C(=O)[C@@]3(O)[C@H](O)[C@@]4(CO)O[C@@]4([H])[C@@]4([H])[C@H]5O[C@]6(CCCCCCC[C@@H]1C)O[C@@]5(C(=C)C)[C@H](OC(C)=O)[C@@H](C)[C@]4(O6)[C@]23[H]
InChIInChI=1S/C32H46O10/c1-15(2)31-24(38-19(6)34)18(5)32-21-25-28(14-33,39-25)27(36)30(37)22(32)20(17(4)23(30)35)16(3)12-10-8-7-9-11-13-29(41-31,42-32)40-26(21)31/h16-18,20-22,24-27,33,36-37H,1,7-14H2,2-6H3/t16-,17-,18+,20-,21-,22+,24+,25-,26+,27+,28-,29?,30+,31-,32+/m0/s1
InChIKeyUGAHMCXUTHWKOB-KPSABLMMSA-N
Species of MetaboliteComponentSourceComments
Pimelea elongata (IPNI:74472-3) root (BTO:0001188) PubMed (21049973) Airdried and milled root was soaked and extracted with 90% MeOH and Isolated as epimeric mixture
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)
rel-1,2-Dihydro-5-hydroxy-9'S-methyl-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-1alpha-decenoate-resiniferonol-10'-oic acid (CHEBI:70541) has role metabolite (CHEBI:25212)
rel-1,2-Dihydro-5-hydroxy-9'S-methyl-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-1alpha-decenoate-resiniferonol-10'-oic acid (CHEBI:70541) is a diterpenoid (CHEBI:23849)
Citations