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CHEBI:220505 - Butyrolactol

ChEBI IDCHEBI:220505
ChEBI NameButyrolactol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O9
Net Charge0
Average Mass526.667
Monoisotopic Mass526.31418
SMILESCC(C/C=C/C=C/CC/C=C\C=C\CCC(C)(C)C)C(O)C(O)C(O)C(O)C(O)C1OC(=O)C(O)C1O
InChIInChI=1S/C28H46O9/c1-18(16-14-12-10-8-6-5-7-9-11-13-15-17-28(2,3)4)19(29)20(30)21(31)22(32)23(33)26-24(34)25(35)27(36)37-26/h7-14,18-26,29-35H,5-6,15-17H2,1-4H3/b9-7-,10-8+,13-11+,14-12+
InChIKeyYHNIVBVCOOBXOO-FEECMKHQSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (30598544)
ChEBI Ontology
Outgoing Relation(s)
Butyrolactol (CHEBI:220505) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
3,4-dihydroxy-5-[(8E,10E,14Z,16E)-1,2,3,4,5-pentahydroxy-6,20,20-trimethylhenicosa-8,10,14,16-tetraenyl]oxolan-2-one
Manual XrefsDatabases
4942893ChemSpider