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CHEBI:190278 - Caribenolide I

ChEBI IDCHEBI:190278
ChEBI NameCaribenolide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H52O11
Net Charge0
Average Mass624.768
Monoisotopic Mass624.35096
SMILESC=C1C(O)CC(=O)C(C)/C=C(\C)CC(O)C2(O)OC(CCC2O)CC2CCC(O2)C(CCCC)OC(=O)C(C)C(O)C2OC12
InChIInChI=1S/C33H52O11/c1-6-7-8-25-26-11-9-21(41-26)15-22-10-12-27(36)33(40,44-22)28(37)14-17(2)13-18(3)23(34)16-24(35)19(4)30-31(43-30)29(38)20(5)32(39)42-25/h13,18,20-22,24-31,35-38,40H,4,6-12,14-16H2,1-3,5H3/b17-13+
InChIKeyOWAAUUZIPTZSRG-GHRIWEEISA-N
Species of MetaboliteComponentSourceComments
Synechococcus elongatus PCC 7942 (ncbitaxon:32046) cell culture (BTO:0000214) MetaboLights (MTBLS2825)
ChEBI Ontology
Outgoing Relation(s)
Caribenolide I (CHEBI:190278) is a macrolide (CHEBI:25106)
IUPAC Name 
(20E)-7-butyl-11,16,23,24,25-pentahydroxy-10,19,21-trimethyl-15-methylidene-8,13,28,29-tetraoxatetracyclo[22.3.1.13,6.012,14]nonacos-20-ene-9,18-dione
Manual XrefsDatabases
8184694ChemSpider