CHEBI:70142 - Agminoside E

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ChEBI Name Agminoside E
ChEBI ID CHEBI:70142
Definition A natural product found in Raspailia agminata.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C77H120O42
Net Charge 0
Average Mass 1717.75150
Monoisotopic Mass 1716.72542
InChI InChI=1S/C77H120O42/c1-14-29-50(30-27-25-23-21-19-17-15-16-18-20-22-24-26-28-31-97-33-56(72(95)96)102-42(6)83)110-74-65(118-76-69(108-48(12)89)66(105-45(9)86)62(103-43(7)84)53(113-76)35-99-39(3)80)60(94)61(51(32-78)111-74)116-75-70(109-49(13)90)68(107-47(11)88)64(55(115-75)37-101-41(5)82)117-77-71(119-73-59(93)58(92)57(91)52(112-73)34-98-38(2)79)67(106-46(10)87)63(104-44(8)85)54(114-77)36-100-40(4)81/h50-71,73-78,91-94H,14-37H2,1-13H3,(H,95,96)/t50-,51-,52-,53-,54-,55-,56-,57-,58+,59-,60+,61-,62-,63-,64-,65-,66+,67+,68+,69-,70-,71-,73+,74-,75+,76+,77+/m1/s1
InChIKey DXDVXLLFEFFVGF-XVHRNKFMSA-N
SMILES [H][C@@]1(O[C@@H]2O[C@H](COC(C)=O)[C@@]([H])(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3([H])O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](CO)O[C@@H](O[C@H](CCC)CCCCCCCCCCCCCCCCOC[C@@H](OC(C)=O)C(O)=O)[C@]([H])(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]1O
Metabolite of Species Details
Raspailia agminata (WORMS:168106) Methanolic extract of macerated sponge 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 Agminoside E (CHEBI:70142) has role metabolite (CHEBI:25212)
Agminoside E (CHEBI:70142) is a oligosaccharide (CHEBI:50699)
Citation Waiting for Citations Type Source
21087018 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:glycoside(CHEBI:24400); ISA:L-alpha-D-Hepp-(1->7)-L-alpha-D-Hepp-(1->3)-L-alpha-D-Hepp-(1->5)-alpha-Kdo(CHEBI:78618); ISA:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:carboxylic acid(CHEBI:33575); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:ether(CHEBI:25698); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);