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CHEBI:70606 - Gumoside A

ChEBI IDCHEBI:70606
ChEBI NameGumoside A
Stars
DefinitionA natural product found in Ferula gumosa.
Last Modified22 September 2014
DownloadsMolfile
FormulaC35H48O14
Net Charge0
Average Mass692.755
Monoisotopic Mass692.30441
SMILES[H][C@@]1(O[C@@H]2CC(=C)[C@@H](COc3ccc4ccc(=O)oc4c3)[C@]3(C)CC[C@@H](O)C(C)(C)[C@@]23[H])O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C35H48O14/c1-17-11-22(48-31-28(41)27(40)26(39)23(49-31)14-45-32-30(42)35(43,15-36)16-46-32)29-33(2,3)24(37)9-10-34(29,4)20(17)13-44-19-7-5-18-6-8-25(38)47-21(18)12-19/h5-8,12,20,22-24,26-32,36-37,39-43H,1,9-11,13-16H2,2-4H3/t20-,22-,23-,24-,26-,27+,28-,29-,30+,31-,32-,34+,35-/m1/s1
InChIKeyNYTFNIAPHAVHOA-ORYSZERHSA-N
Species of MetaboliteComponentSourceComments
Ferula gumosa (ncbitaxon:371349) root (BTO:0001188) PubMed (20961138) The plant powder was extracted with MeOH
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)
Gumoside A (CHEBI:70606) has role metabolite (CHEBI:25212)
Gumoside A (CHEBI:70606) is a coumarins (CHEBI:23403)
Citations