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CHEBI:204891 - Milbemycin beta12

ChEBI IDCHEBI:204891
ChEBI NameMilbemycin beta12
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O6
Net Charge0
Average Mass514.703
Monoisotopic Mass514.32944
SMILESCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\C)[C@]2(O)C[C@@H]1O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3
InChIInChI=1S/C31H46O6/c1-19-8-7-9-23(5)31(34)18-28(32)22(4)15-27(31)29(33)35-26-16-25(11-10-20(2)14-19)37-30(17-26)13-12-21(3)24(6)36-30/h7-10,15,19,21,24-28,32,34H,11-14,16-18H2,1-6H3/b8-7+,20-10+,23-9+/t19-,21-,24+,25+,26-,27-,28-,30-,31+/m0/s1
InChIKeyLJOBOTWVBIZFLJ-NTGTVSSRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (10994811)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Milbemycin beta12 (CHEBI:204891) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1S,4R,5'S,6'R,7S,9S,10E,12E,14R,16E,19R,21R)-7,9-dihydroxy-5',6,6',10,14,16-hexamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
Manual XrefsDatabases
8729259ChemSpider