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CHEBI:211654 - Brasilicardin C aglycone

ChEBI IDCHEBI:211654
ChEBI NameBrasilicardin C aglycone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H41NO5
Net Charge0
Average Mass423.594
Monoisotopic Mass423.29847
SMILESCO[C@@H](C[C@H]1C(C)=CC[C@@H]2[C@]3(C)C[C@H](O)[C@@H](O)C(C)(C)[C@H]3CC[C@]21C)[C@H](N)C(=O)O
InChIInChI=1S/C24H41NO5/c1-13-7-8-18-23(4,14(13)11-16(30-6)19(25)21(28)29)10-9-17-22(2,3)20(27)15(26)12-24(17,18)5/h7,14-20,26-27H,8-12,25H2,1-6H3,(H,28,29)/t14-,15-,16-,17+,18-,19-,20+,23-,24+/m0/s1
InChIKeyRPMUZTOMCMANNP-YDNHGFIYSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (29045029)
ChEBI Ontology
Outgoing Relation(s)
Brasilicardin C aglycone (CHEBI:211654) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2S,3S)-4-[(1S,4aS,4bS,6S,7S,8aS,10aS)-6,7-dihydroxy-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-2-amino-3-methoxybutanoic acid