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CHEBI:197582 - Brasilane A

ChEBI IDCHEBI:197582
ChEBI NameBrasilane A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H39NO6
Net Charge0
Average Mass425.566
Monoisotopic Mass425.27774
SMILESCC(=O)N[C@H]1[C@@H](OC/C(C)=C2\CC(C)(C)CC3C(C)CCC23)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H39NO6/c1-12-6-7-15-16(12)8-23(4,5)9-17(15)13(2)11-29-22-19(24-14(3)26)21(28)20(27)18(10-25)30-22/h12,15-16,18-22,25,27-28H,6-11H2,1-5H3,(H,24,26)/b17-13+/t12?,15?,16?,18-,19-,20-,21-,22+/m1/s1
InChIKeyZTCHPQNUISFMBP-DYUSRDENSA-N
Species of MetaboliteComponentSourceComments
Coltricia (ncbitaxon:40425) - PubMed (25987321)
ChEBI Ontology
Outgoing Relation(s)
Brasilane A (CHEBI:197582) is a N-acyl-hexosamine (CHEBI:21656)
IUPAC Name 
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2E)-2-(1,6,6-trimethyl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ylidene)propoxy]oxan-3-yl]acetamide
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78445646ChemSpider