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CHEBI:227081 - Cymbimicin A

ChEBI IDCHEBI:227081
ChEBI NameCymbimicin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC59H92N2O14
Net Charge0
Average Mass1053.385
Monoisotopic Mass1052.65486
SMILESCCC(C(O)C/C=C(\C)C(O)CC(OC)C(C)C(=O)NC(C(=O)NC1C(=O)OC(c2ccccc2)C1C)C(C)C)C(O)C(C)/C=C/C=C/C1CC(OC)CC(CC/C(C)=C/C=C/C2COC(C)C(C)(O)C2O)(OC)O1
InChIInChI=1S/C59H92N2O14/c1-14-46(52(64)38(6)22-18-19-26-44-31-45(70-11)33-59(72-13,75-44)30-29-36(4)21-20-25-43-34-73-41(9)58(10,69)54(43)65)47(62)28-27-37(5)48(63)32-49(71-12)39(7)55(66)60-50(35(2)3)56(67)61-51-40(8)53(74-57(51)68)42-23-16-15-17-24-42/h15-27,35,38-41,43-54,62-65,69H,14,28-34H2,1-13H3,(H,60,66)(H,61,67)/b22-18+,25-20+,26-19+,36-21+,37-27+
InChIKeyOTPHGOIPHMPUPP-IUECHDAESA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies (ncbitaxon:1876) - PubMed (9592559)
ChEBI Ontology
Outgoing Relation(s)
Cymbimicin A (CHEBI:227081) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(6E,13E,15E)-16-[6-[(3E,5E)-6-(4,5-dihydroxy-5,6-dimethyloxan-3-yl)-3-methylhexa-3,5-dienyl]-4,6-dimethoxyoxan-2-yl]-10-ethyl-5,9,11-trihydroxy-3-methoxy-2,6,12-trimethyl-N-[3-methyl-1-[(4-methyl-2-oxo-5-phenyloxolan-3-yl)amino]-1-oxobutan-2-yl]hexadeca-6,13,15-trienamide
Manual XrefsDatabases
8594051ChemSpider