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CHEBI:211658 - Brasilicardin D aglycone

ChEBI IDCHEBI:211658
ChEBI NameBrasilicardin D aglycone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H39NO4
Net Charge0
Average Mass393.568
Monoisotopic Mass393.28791
SMILESCC1=CC[C@@H]2[C@]3(C)C[C@H](O)[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@H]1CC[C@H](N)C(=O)O
InChIInChI=1S/C23H39NO4/c1-13-6-9-18-22(4,14(13)7-8-15(24)20(27)28)11-10-17-21(2,3)19(26)16(25)12-23(17,18)5/h6,14-19,25-26H,7-12,24H2,1-5H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,22-,23+/m0/s1
InChIKeyOVPDUMLWOWZQMS-UWPTYTEFSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (29045029)
ChEBI Ontology
Outgoing Relation(s)
Brasilicardin D aglycone (CHEBI:211658) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2S)-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-aminobutanoic acid