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CHEBI:67861 - stoloniferin III

ChEBI IDCHEBI:67861
ChEBI Namestoloniferin III
Stars
DefinitionA natural product found in Ipomoea pes-caprae.
Last Modified22 September 2014
DownloadsMolfile
FormulaC61H106O24
Net Charge0
Average Mass1223.495
Monoisotopic Mass1222.70740
SMILES[H][C@@]1(O[C@@H]2[C@@H](O[C@]3([H])O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](O)[C@H]3O)[C@H](C)O[C@@H](O[C@@]3([H])[C@H](C)O[C@H]4O[C@@]5([H])[C@H](O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]3[C@H]4O)O[C@H](C)[C@H](O)[C@@H]5O)[C@@H]2OC(=O)CCCCCCCCC)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
WURCSWURCS=2.0/4,5,5/[a2112m-1b_1-5][a2211m-1a_1-5][a2211m-1a_1-5_2*OCCCCCCCCCC/3=O][a2211m-1a_1-5_4*OCC^SCC/4C/3=O]/1-2-3-2-4/a1n2-b3n1*1OCCCCCCCCCCC^SO*2/13CCCCC/3=O_a2-b1_b4-c1_c3-d1_c4-e1
InChIInChI=1S/C61H106O24/c1-10-13-15-16-18-22-27-31-40(63)80-55-54(85-57-46(69)43(66)41(64)33(5)73-57)51(82-58-47(70)45(68)49(35(7)75-58)81-56(72)32(4)12-3)37(9)77-61(55)83-50-36(8)76-59-48(71)52(50)79-39(62)30-26-23-20-17-19-21-25-29-38(28-24-14-11-2)78-60-53(84-59)44(67)42(65)34(6)74-60/h32-38,41-55,57-61,64-71H,10-31H2,1-9H3/t32-,33-,34+,35-,36-,37-,38-,41-,42-,43+,44-,45-,46+,47+,48+,49-,50-,51-,52-,53+,54+,55+,57-,58-,59-,60-,61-/m0/s1
InChIKeyVQJSKLDVGOAPNT-XNPMHXEPSA-N
Species of MetaboliteComponentSourceComments
Ipomoea pes-caprae (ncbitaxon:89656) aerial part (BTO:0001658) PubMed (21338052) The air-dried aerial parts were powdered and refluxed with 95% EtOH
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
stoloniferin III (CHEBI:67861) has role metabolite (CHEBI:25212)
stoloniferin III (CHEBI:67861) is a oligosaccharide (CHEBI:50699)
Citations