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CHEBI:202317 - Tuscolid

ChEBI IDCHEBI:202317
ChEBI NameTuscolid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O10
Net Charge0
Average Mass578.699
Monoisotopic Mass578.30910
SMILESCCC12C=C/C(C)=C\C(C)(O)CCC(OC)C(C)C(O)C(C)C(O)C3OC(=CC3=O)CC(=O)OC(C1)C(C)C(=O)O2
InChIInChI=1S/C31H46O10/c1-8-31-12-9-17(2)15-30(6,37)11-10-23(38-7)18(3)26(34)20(5)27(35)28-22(32)13-21(39-28)14-25(33)40-24(16-31)19(4)29(36)41-31/h9,12-13,15,18-20,23-24,26-28,34-35,37H,8,10-11,14,16H2,1-7H3/b12-9?,17-15-
InChIKeyVCPZJAICYPAPCG-SHDBNYCTSA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - DOI (10.1002/ejoc.200300539)
ChEBI Ontology
Outgoing Relation(s)
Tuscolid (CHEBI:202317) is a macrolide (CHEBI:25106)
IUPAC Name 
(17Z)-21-ethyl-9,11,16-trihydroxy-13-methoxy-10,12,16,18,24-pentamethyl-2,22,26-trioxatricyclo[19.3.1.15,8]hexacosa-5,17,19-triene-3,7,23-trione
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78444783ChemSpider