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CHEBI:70216 - Dichotomide VIII

ChEBI IDCHEBI:70216
ChEBI NameDichotomide VIII
Stars
DefinitionA natural product found in Stellaria dichotoma var. lanceolata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H21N3O9
Net Charge0
Average Mass447.400
Monoisotopic Mass447.12778
SMILESCC(=O)c1nc(C(N)=O)c(O)c2c1nc1c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cccc12
InChIInChI=1S/C20H21N3O9/c1-6(25)11-13-10(16(27)14(22-11)19(21)30)7-3-2-4-8(12(7)23-13)31-20-18(29)17(28)15(26)9(5-24)32-20/h2-4,9,15,17-18,20,23-24,26-29H,5H2,1H3,(H2,21,30)/t9-,15-,17+,18-,20-/m1/s1
InChIKeyJWECGEKFHGOJMI-XJFGBDJVSA-N
Species of MetaboliteComponentSourceComments
Stellaria dichotoma var. lanceolata (IPNI:50920984-1) root (BTO:0001188) PubMed (21090796) Methanolic extract of air-dried, powdered roots
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
Dichotomide VIII (CHEBI:70216) has role metabolite (CHEBI:25212)
Dichotomide VIII (CHEBI:70216) is a harmala alkaloid (CHEBI:61379)
Citations