CHEBI:70140 - Agminoside C

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ChEBI Name Agminoside C
ChEBI ID CHEBI:70140
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 C83H130O47
Net Charge 0
Average Mass 1879.89210
Monoisotopic Mass 1878.77824
InChI InChI=1S/C83H130O47/c1-14-29-51(30-27-25-23-21-19-17-15-16-18-20-22-24-26-28-31-106-33-52(97)77(104)105)119-79-70(129-82-74(117-49(12)95)71(114-46(9)92)66(112-44(7)90)56(123-82)36-109-41(4)87)64(103)65(53(32-84)120-79)126-81-75(118-50(13)96)73(116-48(11)94)68(58(125-81)38-111-43(6)89)127-83-76(72(115-47(10)93)67(113-45(8)91)57(124-83)37-110-42(5)88)130-80-69(62(101)60(99)55(122-80)35-108-40(3)86)128-78-63(102)61(100)59(98)54(121-78)34-107-39(2)85/h51-76,78-84,97-103H,14-38H2,1-13H3,(H,104,105)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62+,63-,64+,65-,66-,67-,68-,69-,70-,71+,72+,73+,74-,75-,76-,78+,79-,80+,81+,82+,83+/m1/s1
InChIKey GEUWMFGUPMBBEC-OXJRRYGVSA-N
SMILES [H][C@@]1(O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O[C@H]1O[C@@]1([H])[C@@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)O[C@]1([H])[C@@H](COC(C)=O)O[C@@H](O[C@]2([H])[C@@H](CO)O[C@@H](O[C@H](CCC)CCCCCCCCCCCCCCCCOC[C@@H](O)C(O)=O)[C@]([H])(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]2O)[C@H](OC(C)=O)[C@H]1OC(C)=O
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 C (CHEBI:70140) has role metabolite (CHEBI:25212)
Agminoside C (CHEBI:70140) 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:hydroxy monocarboxylic acid(CHEBI:35868); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:carboxylic acid(CHEBI:33575); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586); ISA:primary alcohol(CHEBI:15734);