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CHEBI:220790 - Takanawaene B

ChEBI IDCHEBI:220790
ChEBI NameTakanawaene B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H52O8
Net Charge0
Average Mass564.760
Monoisotopic Mass564.36622
SMILESCCC1OC(=O)C(C)C(O)CC(O)CCCC(O)CC(O)CC(O)C(C)C(O)/C=C\C=C/C=C\C=C/C=C\C1C
InChIInChI=1S/C32H52O8/c1-5-31-22(2)15-12-10-8-6-7-9-11-13-18-28(36)23(3)29(37)21-27(35)19-25(33)16-14-17-26(34)20-30(38)24(4)32(39)40-31/h6-13,15,18,22-31,33-38H,5,14,16-17,19-21H2,1-4H3/b7-6-,10-8-,11-9-,15-12-,18-13-
InChIKeyLFAOELCAMFCKNU-DISGBCGLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (12870809)
ChEBI Ontology
Outgoing Relation(s)
Takanawaene B (CHEBI:220790) is a macrolide (CHEBI:25106)
IUPAC Name 
(17Z,19Z,21Z,23Z,25Z)-28-ethyl-4,6,10,12,14,16-hexahydroxy-3,15,27-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
Manual XrefsDatabases
78444210ChemSpider