CHEBI:204282 - UK-78618

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name UK-78618
ChEBI ID CHEBI:204282
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H50O9
Net Charge 0
Average Mass 614.776
Monoisotopic Mass 614.34548
InChI InChI=1S/C35H50O9/c1-8-19(2)30-23(6)15-28(36)34(44-30)17-26-16-25(43-34)13-12-21(4)29(37)20(3)10-9-11-24-18-41-32-31(40-7)22(5)14-27(33(38)42-26)35(24,32)39/h8-12,14,20,23,25-32,36-37,39H,13,15-18H2,1-7H3/b10-9-,19-8+,21-12-,24-11-/t20-,23-,25+,26-,27-,28+,29+,30+,31+,32+,34-,35+/m0/s1
InChIKey GDYDDJBUQFLUBD-FZGXGROBSA-N
SMILES O=C1O[C@@H]2C[C@@]3(O[C@H](/C(=C/C)/C)[C@@H](C)C[C@H]3O)O[C@@H](C2)CC=C([C@H](O)[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](OC)[C@H]5OC4)C)O)C)C
Metabolite of Species Details
Streptomyces hygroscopicus (NCBI:txid1912) See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via milbemycin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing UK-78618 (CHEBI:204282) is a milbemycin (CHEBI:50345)
IUPAC Name
(1R,3'R,4S,5'S,6S,6'S,8R,10Z,12R,13S,14Z,16Z,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-3',12,24-trihydroxy-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
Manual Xref Database
78437116 ChemSpider
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