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CHEBI:218601 - Favolon

ChEBI IDCHEBI:218601
ChEBI NameFavolon
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H50O9
Net Charge0
Average Mass590.754
Monoisotopic Mass590.34548
SMILESCC(C)C(C)C(O)C(=O)[C@@H](C)[C@H]1CC[C@H]2[C@H]3C(=O)[C@@H]4O[C@@]45C[C@@H](OC(=O)C(O)C(C)(C)O)CC[C@]5(C)[C@]34O[C@@H]4C[C@]12C
InChIInChI=1S/C33H50O9/c1-15(2)16(3)23(34)24(35)17(4)19-9-10-20-22-25(36)27-32(42-27)13-18(40-28(38)26(37)29(5,6)39)11-12-31(32,8)33(22)21(41-33)14-30(19,20)7/h15-23,26-27,34,37,39H,9-14H2,1-8H3/t16?,17-,18-,19+,20-,21+,22-,23?,26?,27-,30+,31-,32-,33+/m0/s1
InChIKeySDVHFMSSWIIGCL-HSOJFHCCSA-N
Species of MetaboliteComponentSourceComments
Favolaschia (ncbitaxon:139071) - PubMed (7649875)
ChEBI Ontology
Outgoing Relation(s)
Favolon (CHEBI:218601) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(1R,2S,5S,7R,9R,11R,12S,15R,16R,18R)-15-[(2S)-4-hydroxy-5,6-dimethyl-3-oxoheptan-2-yl]-2,16-dimethyl-10-oxo-8,19-dioxahexacyclo[9.8.0.01,18.02,7.07,9.012,16]nonadecan-5-yl] 2,3-dihydroxy-3-methylbutanoate
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8523860ChemSpider