EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:212156 - Marinomycin D

ChEBI IDCHEBI:212156
ChEBI NameMarinomycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H78O14
Net Charge0
Average Mass1011.259
Monoisotopic Mass1010.53916
SMILESCC[C@@H](O)C[C@H]1C[C@@H](O)CC=C[C@@H](O)C[C@@H](O)CC(C)=CC=CC=CC=Cc2cccc(O)c2C(=O)O[C@@H](C[C@@H](C)O)C[C@@H](O)CC=C[C@@H](O)C[C@@H](O)CC(C)=CC=CC=CC=Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C59H78O14/c1-5-45(61)37-53-39-49(65)29-19-27-47(63)36-51(67)33-41(3)20-12-8-6-10-14-22-43-24-16-30-54(68)56(43)58(70)72-52(34-42(4)60)38-48(64)28-18-26-46(62)35-50(66)32-40(2)21-13-9-7-11-15-23-44-25-17-31-55(69)57(44)59(71)73-53/h6-27,30-31,42,45-53,60-69H,5,28-29,32-39H2,1-4H3/t42-,45-,46-,47-,48+,49+,50+,51+,52+,53+/m1/s1
InChIKeyVKKOVWWTIIRQQA-RJCVZUPRSA-N
Species of MetaboliteComponentSourceComments
Marinispora (ncbitaxon:2926447) - PubMed (16448135)
ChEBI Ontology
Outgoing Relation(s)
Marinomycin D (CHEBI:212156) is a phenols (CHEBI:33853)
IUPAC Name 
(4S,6S,10S,12S,30S,32S,36S,38S)-6,10,12,26,32,36,38,52-octahydroxy-4-[(2R)-2-hydroxybutyl]-30-[(2R)-2-hydroxypropyl]-14,40-dimethyl-3,29-dioxatricyclo[46.4.0.022,27]dopentaconta-1(48),8,14,16,18,20,22(27),23,25,34,40,42,44,46,49,51-hexadecaene-2,28-dione