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CHEBI:229097 - Delavine

ChEBI IDCHEBI:229097
ChEBI NameDelavine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H45NO2
Net Charge0
Average Mass415.662
Monoisotopic Mass415.34503
SMILES[H][C@@]12CC[C@@]3([H])[C@@H](C)[C@]4([H])CC[C@H](C)CN4C[C@@]3([H])[C@]1([H])C[C@@]1([H])[C@@]2([H])C[C@@H](O)[C@@]2([H])C[C@@H](O)CC[C@]12C
InChIInChI=1S/C27H45NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-26,29-30H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21-,22+,23-,24+,25-,26+,27+/m0/s1
InChIKeyNEMWYOKGHGSVSC-MSSYMPDSSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
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)
Delavine (CHEBI:229097) is a alkaloid (CHEBI:22315)
IUPAC Name 
(1R,2S,6S,9S,10R,11R,14S,15S,17R,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-17,20-diol
Manual XrefsDatabases
10264360ChemSpider