EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198549 - 41-Demethylhomooligomycin B

ChEBI IDCHEBI:198549
ChEBI Name41-Demethylhomooligomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H72O12
Net Charge0
Average Mass805.059
Monoisotopic Mass804.50238
SMILESCCC1C2OC(=O)/C=C\C(C)C(O)C(C)C(=O)C(C)C(O)C(C)C(=O)C(C)(O)C(O)C(C)C/C=C\C=C/C(C)CCC(OC13OC(CC(C)O)C(C)CC3=O)C2C
InChIInChI=1S/C45H72O12/c1-12-33-41-29(7)34(56-45(33)36(47)22-27(5)35(57-45)23-28(6)46)20-18-24(2)16-14-13-15-17-26(4)42(52)44(11,54)43(53)32(10)40(51)31(9)39(50)30(8)38(49)25(3)19-21-37(48)55-41/h13-16,19,21,24-35,38,40-42,46,49,51-52,54H,12,17-18,20,22-23H2,1-11H3/b15-13-,16-14-,21-19-
InChIKeyVPNOAIHQOYAYGS-JZNMKSKXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces ostreogriseus (ncbitaxon:68248) - PubMed (9031674)
ChEBI Ontology
Outgoing Relation(s)
41-Demethylhomooligomycin B (CHEBI:198549) is a macrolide (CHEBI:25106)
IUPAC Name 
(4Z,18Z,20Z)-28-ethyl-7,11,14,15-tetrahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,22,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,3',9,13-tetrone
Manual XrefsDatabases
78444477ChemSpider