CHEBI:229128 - Germerine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Germerine
ChEBI ID CHEBI:229128
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H59NO11
Net Charge 0
Average Mass 693.875
Monoisotopic Mass 693.40881
InChI InChI=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
InChIKey JOBMMOBXVRRLOS-BZMUIYTCSA-N
SMILES O1[C@@]23[C@@]4([C@@]([C@]1(O)[C@@H](OC(=O)[C@@](O)(CC)C)CC4)(C[C@@H](O)[C@]2([C@@]5(O)[C@@](C3)([C@]6([C@]([C@@H](O)[C@@H]5OC(=O)[C@@H](CC)C)([C@](O)([C@]7(N(C6)C[C@H](CC7)C)[H])C)[H])[H])[H])[H])[H])C
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
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 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 Xref Database
52083616 ChemSpider
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