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CHEBI:199089 - Halstoctacosanolide B

ChEBI IDCHEBI:199089
ChEBI NameHalstoctacosanolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H78O11
Net Charge0
Average Mass831.141
Monoisotopic Mass830.55441
SMILESCCC(O)C(C)C(O)CC(O)C(O)/C=C(\C)CC(C)C1CC(O)C(C)/C=C/C=C/CC(C)C(=O)CC2CCC(C)C(O)(C/C=C(C)\C=C(/C)C(O)C/C=C(\C)C(=O)O1)O2
InChIInChI=1S/C48H78O11/c1-11-39(49)37(10)43(53)27-45(55)44(54)25-30(3)24-35(8)46-28-42(52)32(5)16-14-12-13-15-31(4)41(51)26-38-19-18-36(9)48(57,59-38)22-21-29(2)23-34(7)40(50)20-17-33(6)47(56)58-46/h12-14,16-17,21,23,25,31-32,35-40,42-46,49-50,52-55,57H,11,15,18-20,22,24,26-28H2,1-10H3/b13-12+,16-14+,29-21-,30-25+,33-17+,34-23+
InChIKeyKRDDIOSQXDNLBO-ZISWDFRWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2004.03.027)
ChEBI Ontology
Outgoing Relation(s)
Halstoctacosanolide B (CHEBI:199089) is a macrolide (CHEBI:25106)
IUPAC Name 
(3Z,5E,9E,17E,19E)-1,7,15-trihydroxy-4,6,10,16,22,28-hexamethyl-13-[(E)-6,7,9,11-tetrahydroxy-4,10-dimethyltridec-4-en-2-yl]-12,29-dioxabicyclo[23.3.1]nonacosa-3,5,9,17,19-pentaene-11,23-dione