CHEBI:69730 - Premyrsinol-3-propanoate-5-benzoate-7,13,17-triacetate

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ChEBI Name Premyrsinol-3-propanoate-5-benzoate-7,13,17-triacetate
ChEBI ID CHEBI:69730
Definition A natural product found in Euphorbia prolifera.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C36H46O12
Net Charge 0
Average Mass 670.74320
Monoisotopic Mass 670.29893
InChI InChI=1S/C36H46O12/c1-9-25(40)46-28-18(2)16-36(43)27(28)30(47-31(41)22-13-11-10-12-14-22)35(17-44-19(3)37)24(45-20(4)38)15-23-26(33(23,6)7)29(35)34(8,32(36)42)48-21(5)39/h10-14,18,23-24,26-30,43H,9,15-17H2,1-8H3/t18-,23-,24+,26-,27+,28-,29-,30+,34-,35+,36+/m0/s1
InChIKey XCYFSKKZKGHHRG-BZCIOZDJSA-N
SMILES [H][C@]12C[C@@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(=O)c4ccccc4)[C@@]4([H])[C@@H](OC(=O)CC)[C@@H](C)C[C@]4(O)C(=O)[C@@](C)(OC(C)=O)[C@]3([H])[C@@]1([H])C2(C)C
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 Premyrsinol-3-propanoate-5-benzoate-7,13,17-triacetate (CHEBI:69730) has role metabolite (CHEBI:25212)
Premyrsinol-3-propanoate-5-benzoate-7,13,17-triacetate (CHEBI:69730) is a monoterpenoid (CHEBI:25409)
Citation Waiting for Citations Type Source
21928782 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:benzoate ester(CHEBI:36054); ISA:monoterpenoid(CHEBI:25409); ISA:benzyl ether(CHEBI:59859); ISA:carbonyl compound(CHEBI:36586); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:dicarboxylic acid(CHEBI:35692); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:organic heterocyclic compound(CHEBI:24532);