CHEBI:6368 - Lampranthin II

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Lampranthin II
ChEBI ID CHEBI:6368
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C34H34N2O16
Net Charge 0
Average Mass 726.639
Monoisotopic Mass 726.19083
InChI InChI=1S/C34H34N2O16/c1-49-24-10-15(2-4-22(24)37)3-5-27(39)50-14-26-28(40)29(41)30(42)34(52-26)51-25-12-17-11-21(33(47)48)36(20(17)13-23(25)38)7-6-16-8-18(31(43)44)35-19(9-16)32(45)46/h2-8,10,12-13,19,21,26,28-30,34,40-42H,9,11,14H2,1H3,(H5,37,38,39,43,44,45,46,47,48)/t19-,21-,26+,28+,29-,30+,34+/m0/s1
InChIKey BRMDRKOAVZEJCS-WPUGSIMNSA-N
SMILES COc1cc(\C=C\C(=O)OC[C@H]2O[C@@H](Oc3cc4C[C@@H](C([O-])=O)\[N+](=C/C=C5C[C@H](NC(=C\5)C(O)=O)C(O)=O)c4cc3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Lampranthin II (CHEBI:6368) has functional parent betanidin (CHEBI:3079)
Lampranthin II (CHEBI:6368) is a betalain (CHEBI:22861)
Lampranthin II (CHEBI:6368) is a glycoside (CHEBI:24400)
Synonym Source
Lampranthin II KEGG COMPOUND
Manual Xrefs Databases
C00001594 KNApSAcK
C08552 KEGG COMPOUND
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Registry Number Type Source
32074-65-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014