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CHEBI:177640 - Mycalolide B

ChEBI IDCHEBI:177640
ChEBI NameMycalolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H74N4O17
Net Charge0
Average Mass1027.175
Monoisotopic Mass1026.50490
SMILESCOCC(OC)C(=O)OC(CCC(C)C(CC1OC(=O)CC(O)CC=CC(=O)C(C)C(OC)c2coc(n2)-c2coc(n2)-c2coc(n2)C=CCC(OC)C1C)OC)C(C)C(OC(C)=O)C(C)C=CN(C)C=O
InChIInChI=1S/C52H74N4O17/c1-30(19-20-42(73-52(62)45(66-11)28-63-8)34(5)48(71-35(6)58)31(2)21-22-56(7)29-57)43(65-10)24-44-33(4)41(64-9)17-14-18-46-53-38(26-68-46)50-55-39(27-70-50)51-54-37(25-69-51)49(67-12)32(3)40(60)16-13-15-36(59)23-47(61)72-44/h13-14,16,18,21-22,25-27,29-34,36,41-45,48-49,59H,15,17,19-20,23-24,28H2,1-12H3
InChIKeyZYDMLFOHENLMIN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Mycalolide B (CHEBI:177640) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[4-acetyloxy-1-[ormyl(methyl)amino]-11-(16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl)-10-methoxy-3,5,9-trimethylundec-1-en-6-yl] 2,3-dimethoxypropanoate
Manual XrefsDatabases
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