CHEBI:204196 - FD-891

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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 FD-891
ChEBI ID CHEBI:204196
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H54O8
Net Charge 0
Average Mass 578.787
Monoisotopic Mass 578.38187
InChI InChI=1S/C33H54O8/c1-19-17-21(3)29(36)32-31(41-32)27(35)13-11-9-10-12-14-28(40-33(38)22(4)18-19)20(2)15-16-26(34)24(6)30(37)23(5)25(7)39-8/h9-12,17-18,20-21,23-32,34-37H,13-16H2,1-8H3/b11-9+,12-10+,19-17+,22-18+/t20-,21+,23?,24?,25?,26?,27+,28-,29+,30?,31+,32+/m0/s1
InChIKey VOLRALTUADVHPT-VVTOKWSESA-N
SMILES O=C1O[C@H]([C@H](CCC(O)C(C(O)C(C(OC)C)C)C)C)CC=CC=CC[C@@H](O)[C@@H]2[C@@H]([C@@H]([C@@H](C=C(C=C1C)C)C)O)O2
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing FD-891 (CHEBI:204196) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,2R,3R,4E,6E,10S,12E,14E,17R,18R)-10-[(2S)-5,7-dihydroxy-9-methoxy-6,8-dimethyldecan-2-yl]-2,17-dihydroxy-3,5,7-trimethyl-9,19-dioxabicyclo[16.1.0]nonadeca-4,6,12,14-tetraen-8-one
Manual Xref Database
8206677 ChemSpider
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