CHEBI:8367 - Prebetanin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Prebetanin
ChEBI ID CHEBI:8367
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H26N2O16S
Net Charge 0
Average Mass 630.534
Monoisotopic Mass 630.10030
InChI InChI=1S/C24H26N2O16S/c27-15-7-13-10(6-16(15)41-24-20(30)19(29)18(28)17(42-24)8-40-43(37,38)39)5-14(23(35)36)26(13)2-1-9-3-11(21(31)32)25-12(4-9)22(33)34/h1-3,6-7,12,14,17-20,24,28-30H,4-5,8H2,(H5,27,31,32,33,34,35,36,37,38,39)/t12-,14+,17-,18-,19+,20-,24-/m1/s1
InChIKey OZXPZOHWSFDUDY-RYGANQNKSA-N
SMILES O[C@@H]1[C@@H](COS([O-])(=O)=O)O[C@@H](Oc2cc3C[C@@H](C(O)=O)\[N+](=C/C=C4C[C@@H](NC(=C\4)C(O)=O)C(O)=O)c3cc2O)[C@H](O)[C@H]1O
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.
(via alkaloid )
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ChEBI Ontology
Outgoing Prebetanin (CHEBI:8367) has functional parent betanidin (CHEBI:3079)
Prebetanin (CHEBI:8367) is a betalain (CHEBI:22861)
Prebetanin (CHEBI:8367) is a glycoside (CHEBI:24400)
Synonym Source
Prebetanin KEGG COMPOUND
Manual Xrefs Databases
C00001606 KNApSAcK
C08567 KEGG COMPOUND
View more database links
Registry Number Type Source
13798-16-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014