CHEBI:205496 - Juvenimicin C

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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 Juvenimicin C
ChEBI ID CHEBI:205496
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H48O10
Net Charge 0
Average Mass 556.693
Monoisotopic Mass 556.32475
InChI InChI=1S/C29H48O10/c1-8-18-12-14(3)19(30)10-11-29(7)27(39-29)16(5)21(9-2)37-22(32)13-20(31)15(4)26(18)38-28-25(35)24(34)23(33)17(6)36-28/h10-11,14-18,20-21,23-28,31,33-35H,8-9,12-13H2,1-7H3/b11-10+/t14-,15+,16-,17+,18+,20-,21-,23+,24-,25-,26-,27+,28+,29+/m1/s1
InChIKey TYULKRDSAGUMRU-KVIFQJCKSA-N
SMILES O=C1C=C[C@@]2(O[C@H]2[C@@H]([C@H](OC(=O)C[C@H]([C@@H]([C@H]([C@H](C[C@H]1C)CC)O[C@@H]3O[C@H]([C@H](O)[C@H]([C@H]3O)O)C)C)O)CC)C)C
Metabolite of Species Details
Micromonosporaspecies (NCBI:txid1876) See: PubMed
ChEBI Ontology
Outgoing Juvenimicin C (CHEBI:205496) is a macrolide (CHEBI:25106)
IUPAC Name
(1S,2R,3R,7R,8S,9S,10S,12R,14E,16S)-3,10-diethyl-7-hydroxy-2,8,12,16-tetramethyl-9-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione
Manual Xref Database
29215658 ChemSpider
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