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CHEBI:198269 - Halstoctacosanolide C

ChEBI IDCHEBI:198269
ChEBI NameHalstoctacosanolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H78O10
Net Charge0
Average Mass815.142
Monoisotopic Mass814.55950
SMILESCCC(O)C(C)C(O)CC(O)C/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/C48H78O10/c1-11-41(50)38(10)45(54)27-39(49)20-17-30(2)26-36(8)46-29-44(53)33(5)16-14-12-13-15-32(4)43(52)28-40-21-19-37(9)48(56,58-40)24-23-31(3)25-35(7)42(51)22-18-34(6)47(55)57-46/h12-14,16-18,23,25,32-33,36-42,44-46,49-51,53-54,56H,11,15,19-22,24,26-29H2,1-10H3/b13-12-,16-14-,30-17+,31-23-,34-18-,35-25-
InChIKeyWOCRMBMRJOSSHX-NKUGXYOMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces halstedii (ncbitaxon:1944) - PubMed (16568718)
ChEBI Ontology
Outgoing Relation(s)
Halstoctacosanolide C (CHEBI:198269) is a macrolide (CHEBI:25106)
IUPAC Name 
(3Z,5Z,9Z,17Z,19Z)-1,7,15-trihydroxy-4,6,10,16,22,28-hexamethyl-13-[(E)-7,9,11-trihydroxy-4,10-dimethyltridec-4-en-2-yl]-12,29-dioxabicyclo[23.3.1]nonacosa-3,5,9,17,19-pentaene-11,23-dione
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78444752ChemSpider