CHEBI:70540 - rel-1,2-Dihydro-5-hydroxy-9'R-methyl-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-1alpha-decenoate-resiniferonol-10'-oic acid

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ChEBI Name rel-1,2-Dihydro-5-hydroxy-9'R-methyl-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-1alpha-decenoate-resiniferonol-10'-oic acid
ChEBI ID CHEBI:70540
Definition A natural product found in Pimelea elongata.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H46O10
Net Charge 0
Average Mass 590.70160
Monoisotopic Mass 590.30910
InChI InChI=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-/m1/s1
InChIKey UGAHMCXUTHWKOB-NGLIXHTLSA-N
SMILES [H][C@]12[C@H](C)CCCCCCC[C@@]34O[C@@H]5[C@]6([H])[C@]7([H])O[C@]7(CO)[C@@H](O)[C@](O)(C(=O)[C@H]1C)[C@]2([H])[C@@]6(O3)[C@H](C)[C@@H](OC(C)=O)[C@@]5(O4)C(C)=C
Metabolite of Species Details
Pimelea elongata (IPNI:74472-3) Found in root (BTO:0001188). Airdried and milled root was soaked and extracted with 90% MeOH and Isolated as epimeric mixture 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 rel-1,2-Dihydro-5-hydroxy-9'R-methyl-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-1alpha-decenoate-resiniferonol-10'-oic acid )
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ChEBI Ontology
Outgoing rel-1,2-Dihydro-5-hydroxy-9'R-methyl-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-1alpha-decenoate-resiniferonol-10'-oic acid (CHEBI:70540) has role metabolite (CHEBI:25212)
rel-1,2-Dihydro-5-hydroxy-9'R-methyl-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-1alpha-decenoate-resiniferonol-10'-oic acid (CHEBI:70540) is a diterpenoid (CHEBI:23849)
Citation Waiting for Citations Type Source
21049973 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:ortho ester(CHEBI:71989); ISA:oxacycle(CHEBI:38104); ISA:dioxanes(CHEBI:46926); ISA:dioxolane(CHEBI:39430); ISA:tertiary alcohol(CHEBI:26878); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:ketone(CHEBI:17087); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:epoxide(CHEBI:32955); ISA:primary alcohol(CHEBI:15734);