CHEBI:198213 - VM44867

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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 VM44867
ChEBI ID CHEBI:198213
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H52O8
Net Charge 0
Average Mass 600.793
Monoisotopic Mass 600.36622
InChI InChI=1S/C35H52O8/c1-9-22(4)30-24(6)17-29(36)34(43-30)19-27-18-26(42-34)14-13-21(3)15-20(2)11-10-12-25(7)35(39)28(33(38)41-27)16-23(5)31(40-8)32(35)37/h9-13,16,20,24,26-32,36-37,39H,14-15,17-19H2,1-8H3/b11-10+,21-13+,22-9+,25-12+/t20-,24-,26+,27-,28-,29+,30+,31+,32?,34-,35+/m0/s1
InChIKey AZADTSXNOSADFV-FUQSXLORSA-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[C@H](C=CC=C([C@]4([C@H]1C=C([C@@H](OC)C4O)C)O)C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) 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 VM44867 (CHEBI:198213) is a milbemycin (CHEBI:50345)
IUPAC Name
(1S,3'R,4R,5'S,6'S,7R,9S,10E,12E,14R,16E,19R,21S)-6'-[(E)-but-2-en-2-yl]-3',8,9-trihydroxy-7-methoxy-5',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
Manual Xref Database
8969013 ChemSpider
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