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CHEBI:201000 - SPA-6952B

ChEBI IDCHEBI:201000
ChEBI NameSPA-6952B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC41H68O12
Net Charge0
Average Mass752.983
Monoisotopic Mass752.47108
SMILESCCC(O)CC1CCCC2(CC3OC(=O)/C=C\C(C)(O)C(O)C(C)C(O)C(O)C(O)C(C)(O)CCCCC/C=C\C4=C(CC(O2)C3C)OC(C)(C)C4)O1
InChIInChI=1S/C41H68O12/c1-8-28(42)21-29-16-14-19-41(51-29)24-32-25(2)30(53-41)22-31-27(23-38(4,5)52-31)15-12-10-9-11-13-18-39(6,48)37(47)35(45)34(44)26(3)36(46)40(7,49)20-17-33(43)50-32/h12,15,17,20,25-26,28-30,32,34-37,42,44-49H,8-11,13-14,16,18-19,21-24H2,1-7H3/b15-12-,20-17-
InChIKeyPAJGLWCAYLASCS-RQDOHCPJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (16156518)
ChEBI Ontology
Outgoing Relation(s)
SPA-6952B (CHEBI:201000) is a macrolide (CHEBI:25106)
IUPAC Name 
(8Z,22Z)-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
28282862ChemSpider