CHEBI:6368 - Lampranthin II

ChEBI IDCHEBI:6368
ChEBI NameLampranthin II
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC34H34N2O16
Net Charge0
Average Mass726.644
Monoisotopic Mass726.19083
SMILESCOc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3cc4c(cc3O)/[N+](=C/C=C3/C=C(C(=O)O)N[C@H](C(=O)O)C3)[C@H](C(=O)[O-])C4)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O
InChIInChI=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
InChIKeyBRMDRKOAVZEJCS-WPUGSIMNSA-N
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)
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 IIKEGG COMPOUND
Manual XrefsDatabases
C08552KEGG COMPOUND
C00001594KNApSAcK
Registry NumbersSources
CAS:32074-65-0KEGG COMPOUND