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CHEBI:222735 - YO-001A

ChEBI IDCHEBI:222735
ChEBI NameYO-001A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H72O10
Net Charge0
Average Mass737.028
Monoisotopic Mass736.51255
SMILESCCC(O)CC1OC2(CCC1C)CC1CC(CCC(CC)/C=C/C=C/CCCC(C)(O)C(O)CC(O)CC(O)C(C)C(O)C(CC)/C=C/C(=O)O1)O2
InChIInChI=1S/C42H72O10/c1-7-30-15-13-11-10-12-14-21-41(6,49)38(46)25-33(44)23-36(45)29(5)40(48)31(8-2)17-19-39(47)50-35-26-34(18-16-30)51-42(27-35)22-20-28(4)37(52-42)24-32(43)9-3/h10-11,13,15,17,19,28-38,40,43-46,48-49H,7-9,12,14,16,18,20-27H2,1-6H3/b11-10+,15-13+,19-17+
InChIKeyXHYHIMBTXXJELM-FPWWATQWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31601980)
ChEBI Ontology
Outgoing Relation(s)
YO-001A (CHEBI:222735) is a macrolide (CHEBI:25106)
IUPAC Name 
(4E,18E,20E)-6,22-diethyl-7,9,11,13,14-pentahydroxy-6'-(2-hydroxybutyl)-5',8,14-trimethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3-one