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CHEBI:221380 - Marinomycin B

ChEBI IDCHEBI:221380
ChEBI NameMarinomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H76O14
Net Charge0
Average Mass997.232
Monoisotopic Mass996.52351
SMILESC/C1=C/C=C\C=C/C=C\c2cccc(O)c2C(=O)O[C@@H](C[C@@H](C)O)C[C@@H](O)C/C=C\[C@@H](O)C[C@@H](O)C/C(C)=C\C=C/C=C\C=C/c2cccc(O)c2C(=O)O[C@@H](C[C@@H](C)O)C[C@@H](O)C/C=C\[C@@H](O)C[C@@H](O)C1
InChIInChI=1S/C58H76O14/c1-39-19-11-7-5-9-13-21-43-23-15-29-53(67)55(43)57(69)72-52(34-42(4)60)38-48(64)28-18-26-46(62)36-50(66)32-40(2)20-12-8-6-10-14-22-44-24-16-30-54(68)56(44)58(70)71-51(33-41(3)59)37-47(63)27-17-25-45(61)35-49(65)31-39/h5-26,29-30,41-42,45-52,59-68H,27-28,31-38H2,1-4H3/b9-5-,10-6-,11-7-,12-8-,21-13-,22-14-,25-17-,26-18-,39-19-,40-20-/t41-,42-,45-,46-,47+,48+,49+,50+,51+,52+/m1/s1
InChIKeyGXBIDOSKEKEFEF-CIDNSMITSA-N
Species of MetaboliteComponentSourceComments
Marinispora (ncbitaxon:2926447) - PubMed (16448135)
ChEBI Ontology
Outgoing Relation(s)
Marinomycin B (CHEBI:221380) is a phenols (CHEBI:33853)
IUPAC Name 
(4S,6S,8E,10S,12S,14E,16E,18E,20Z,30S,32S,34E,36S,38S,40E,42E,44E,46Z)-6,10,12,26,32,36,38,52-octahydroxy-4,30-bis[(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
Manual XrefsDatabases
9731874ChemSpider