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CHEBI:210652 - SPA-6952A

ChEBI IDCHEBI:210652
ChEBI NameSPA-6952A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H83NO13
Net Charge0
Average Mass894.197
Monoisotopic Mass893.58644
SMILESCCC(O)CC1OC2(CCC1C1CCC(N(C)C)C(C)O1)CC1OC(=O)/C=C\C(C)(O)C(O)C(C)C(O)C(O)C(O)C(C)(O)CCCCC/C=C\C3=C(CC(O2)C1C)OC(C)(C)C3
InChIInChI=1S/C49H83NO13/c1-11-33(51)25-39-34(36-19-18-35(50(9)10)31(4)59-36)20-24-49(63-39)28-40-29(2)37(62-49)26-38-32(27-46(5,6)61-38)17-15-13-12-14-16-22-47(7,57)45(56)43(54)42(53)30(3)44(55)48(8,58)23-21-41(52)60-40/h15,17,21,23,29-31,33-37,39-40,42-45,51,53-58H,11-14,16,18-20,22,24-28H2,1-10H3/b17-15-,23-21-
InChIKeyKBPPQJSJPVPHEB-IUFKAHDJSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (16156518)
ChEBI Ontology
Outgoing Relation(s)
SPA-6952A (CHEBI:210652) is a macrolide (CHEBI:25106)
IUPAC Name 
(8Z,22Z)-5'-[5-(dimethylamino)-6-methyloxan-2-yl]-15,16,17,18,20,21-hexahydroxy-6'-(2-hydroxybutyl)-5,5,15,19,21,30-hexamethylspiro[4,25,29-trioxatricyclo[24.3.1.03,7]triaconta-3(7),8,22-triene-28,2'-oxane]-24-one
Manual XrefsDatabases
78444399ChemSpider