CHEBI:200603 - PC-766b

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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 PC-766b
ChEBI ID CHEBI:200603
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H68O12
Net Charge 0
Average Mass 777.005
Monoisotopic Mass 776.47108
InChI InChI=1S/C43H68O12/c1-12-13-14-17-33-28(6)36(53-37-22-32(44)40(47)31(9)52-37)23-43(49,55-33)30(8)39(46)29(7)41-34(50-10)18-15-16-24(2)19-26(4)38(45)27(5)20-25(3)21-35(51-11)42(48)54-41/h12-18,20-21,26-34,36-41,44-47,49H,19,22-23H2,1-11H3
InChIKey GBRLJEHLCUILHG-UHFFFAOYSA-N
SMILES O=C1OC(C(OC)C=CC=C(CC(C(C(C=C(C=C1OC)C)C)O)C)C)C(C(O)C(C2(OC(C=CC=CC)C(C)C(C2)OC3OC(C(O)C(C3)O)C)O)C)C
Metabolite of Species Details
Nocardia (NCBI:txid1817) See: PubMed
ChEBI Ontology
Outgoing PC-766b (CHEBI:200603) is a macrolide (CHEBI:25106)
IUPAC Name
16-[4-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-hydroxy-5-methyl-6-penta-1,3-dienyloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one