CHEBI:223063 - Tolypocladin F

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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 Tolypocladin F
ChEBI ID CHEBI:223063
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H51NO7
Net Charge 0
Average Mass 621.815
Monoisotopic Mass 621.36655
InChI InChI=1S/C37H51NO7/c1-19(2)16-26-43-28-30(33(5,6)44-26)42-25-13-14-34(7)35(8)21(12-15-36(34,41)37(25)31(28)45-37)18-22-27-20(17-24(39)32(3,4)40)10-9-11-23(27)38-29(22)35/h9-11,16,21,24-26,28,30-31,38-41H,12-15,17-18H2,1-8H3/t21-,24-,25-,26-,28+,30-,31+,34+,35+,36-,37-/m0/s1
InChIKey ROKFXXIZDLLGMP-LDVZNYFHSA-N
SMILES O1C([C@H]2O[C@@H]3[C@@]4([C@@]5(O)[C@]([C@]6(C=7NC=8C=CC=C(C8C7C[C@@H]6CC5)C[C@H](O)C(O)(C)C)C)(C)CC3)[C@@H]([C@@H]2O[C@@H]1C=C(C)C)O4)(C)C
Metabolite of Species Details
Tolypocladium (NCBI:txid29909) See: PubMed
ChEBI Ontology
Outgoing Tolypocladin F (CHEBI:223063) is a organic heterotricyclic compound (CHEBI:26979)
Tolypocladin F (CHEBI:223063) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(2S)-1-[(1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-16-hydroxy-1,2,24,24-tetramethyl-22-(2-methylprop-1-enyl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5,7,9-tetraen-9-yl]-3-methylbutane-2,3-diol