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CHEBI:229128 - Germerine

ChEBI IDCHEBI:229128
ChEBI NameGermerine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H59NO11
Net Charge0
Average Mass693.875
Monoisotopic Mass693.40881
SMILES[H][C@@]12CN3C[C@@H](C)CC[C@@]3([H])[C@@](C)(O)[C@@]1([H])[C@@H](O)[C@H](OC(=O)[C@H](C)CC)[C@]1(O)[C@@]2([H])C[C@]23O[C@@]4(O)[C@@H](OC(=O)[C@@](C)(O)CC)CC[C@@]2(C)[C@]4([H])C[C@@H](O)[C@]31[H]
InChIInChI=1S/C37H59NO11/c1-8-19(4)30(41)48-29-27(40)26-20(17-38-16-18(3)10-11-24(38)34(26,7)44)21-15-35-28(36(21,29)45)22(39)14-23-32(35,5)13-12-25(37(23,46)49-35)47-31(42)33(6,43)9-2/h18-29,39-40,43-46H,8-17H2,1-7H3/t18-,19+,20-,21-,22+,23-,24-,25-,26+,27+,28+,29-,32-,33-,34+,35+,36-,37+/m0/s1
InChIKeyJOBMMOBXVRRLOS-BZMUIYTCSA-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)
Germerine (CHEBI:229128) is a alkaloid (CHEBI:22315)
IUPAC Name 
[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23R,25R)-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S)-2-hydroxy-2-methylbutanoate
Manual XrefsDatabases
52083616ChemSpider