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CHEBI:217316 - VM-44864

ChEBI IDCHEBI:217316
ChEBI NameVM-44864
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H50O8
Net Charge0
Average Mass598.777
Monoisotopic Mass598.35057
SMILESCC=C(C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)C[C@@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)[C@H](O)C[C@@H]1C
InChIInChI=1S/C35H50O8/c1-8-22(4)30-24(6)16-29(36)34(43-30)18-27-17-26(42-34)13-12-21(3)14-20(2)10-9-11-25-19-40-32-31(39-7)23(5)15-28(33(37)41-27)35(25,32)38/h8-12,15,20,24,26-32,36,38H,13-14,16-19H2,1-7H3/t20-,24-,26+,27-,28-,29+,30+,31+,32+,34-,35+/m0/s1
InChIKeyGECMPKVUETUUQS-MABKHELXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2584143)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
VM-44864 (CHEBI:217316) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1R,3'R,4S,5'S,6S,6'S,8R,13R,20R,21R,24S)-6'-but-2-en-2-yl-3',24-dihydroxy-21-methoxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one