CHEBI:69722 - 14-deoxo-3-O-propionyl-5,15-di-O-acetyl-7-O-benzoylmyrsinol-14beta-acetate

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ChEBI Name 14-deoxo-3-O-propionyl-5,15-di-O-acetyl-7-O-benzoylmyrsinol-14beta-acetate
ChEBI ID CHEBI:69722
Definition A natural product found in Euphorbia prolifera.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C36H44O11
Net Charge 0
Average Mass 652.72800
Monoisotopic Mass 652.28836
InChI InChI=1S/C36H44O11/c1-9-27(40)46-29-20(4)17-36(47-23(7)39)28(29)31(43-21(5)37)35-18-42-34(8,33(36)44-22(6)38)30(35)25(19(2)3)15-16-26(35)45-32(41)24-13-11-10-12-14-24/h10-16,20,25-26,28-31,33H,2,9,17-18H2,1,3-8H3/t20-,25+,26+,28+,29-,30-,31-,33-,34+,35+,36+/m0/s1
InChIKey HUVLAOORYMIHTC-OBKKVEPQSA-N
SMILES [H][C@]12[C@@H](OC(=O)CC)[C@@H](C)C[C@]1(OC(C)=O)[C@@H](OC(C)=O)[C@]1(C)OC[C@]3([C@H](OC(=O)c4ccccc4)C=C[C@H](C(C)=C)[C@@]13[H])[C@H]2OC(C)=O
Metabolite of Species Details
Euphorbia prolifera (IPNI:347888-1) Found in root (BTO:0001188). Ethyl acetate soluble part of methanol extract of air-dried roots. 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.
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ChEBI Ontology
Outgoing 14-deoxo-3-O-propionyl-5,15-di-O-acetyl-7-O-benzoylmyrsinol-14beta-acetate (CHEBI:69722) has role metabolite (CHEBI:25212)
14-deoxo-3-O-propionyl-5,15-di-O-acetyl-7-O-benzoylmyrsinol-14beta-acetate (CHEBI:69722) is a benzoate ester (CHEBI:36054)
Citation Waiting for Citations Type Source
21928782 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:benzyl ether(CHEBI:59859); ISA:carbonyl compound(CHEBI:36586); ISA:dicarboxylic acid(CHEBI:35692); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:oxolanes(CHEBI:26912); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);