CHEBI:199966 - Torrubiellutin B

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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 Torrubiellutin B
ChEBI ID CHEBI:199966
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H41NO7
Net Charge 0
Average Mass 527.658
Monoisotopic Mass 527.28830
InChI InChI=1S/C30H41NO7/c1-18-14-15-27(34)31(8)26(17-25-12-10-9-11-13-25)30(35)36-22(5)21(4)29(38-24(7)33)20(3)16-19(2)28(18)37-23(6)32/h9-16,18,20-22,26,28-29H,17H2,1-8H3/b15-14-,19-16-/t18-,20+,21+,22+,26+,28+,29-/m1/s1
InChIKey PZHLTQDNBGDHKR-FLZVAEBXSA-N
SMILES O=C1N([C@H](C(=O)O[C@H]([C@@H]([C@H](OC(=O)C)[C@H](C=C([C@H]([C@@H](C=C1)C)OC(=O)C)C)C)C)C)CC2=CC=CC=C2)C
Metabolite of Species Details
Torrubiella (NCBI:txid153665) See: DOI
ChEBI Ontology
Outgoing Torrubiellutin B (CHEBI:199966) is a lactam (CHEBI:24995)
Torrubiellutin B (CHEBI:199966) is a macrolide (CHEBI:25106)
IUPAC Name
[(3S,6E,8R,9S,10Z,12S,13R,14S,15S)-9-acetyloxy-3-benzyl-4,8,10,12,14,15-hexamethyl-2,5-dioxo-1-oxa-4-azacyclopentadeca-6,10-dien-13-yl] acetate