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CHEBI:218945 - Chivosazol

ChEBI IDCHEBI:218945
ChEBI NameChivosazol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H71NO12
Net Charge0
Average Mass866.102
Monoisotopic Mass865.49763
SMILESCOC1CC(O)/C=C/C=C/C=C\C(C)C(C(C)C(O)CC(C)O)OC(=O)/C=C\C=C\C=C/C(C)=C/C(C)C(O[C@H]2O[C@H](C)[C@@H](O)[C@H](OC)[C@H]2OC)/C=C\C=C\c2coc(n2)C1C
InChIInChI=1S/C49H71NO12/c1-31-21-15-11-14-18-26-43(54)62-45(35(5)40(53)28-34(4)51)32(2)22-16-12-13-17-24-39(52)29-42(56-8)36(6)48-50-38(30-59-48)23-19-20-25-41(33(3)27-31)61-49-47(58-10)46(57-9)44(55)37(7)60-49/h11-27,30,32-37,39-42,44-47,49,51-53,55H,28-29H2,1-10H3/b13-12+,14-11+,21-15-,22-16-,23-19+,24-17+,25-20-,26-18-,31-27+/t32?,33?,34?,35?,36?,37-,39?,40?,41?,42?,44-,45?,46+,47-,49-/m1/s1
InChIKeyOVMUGRSUGHRYEC-LFIVYKEGSA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - PubMed (7592063)
ChEBI Ontology
Outgoing Relation(s)
Chivosazol (CHEBI:218945) is a glycoside (CHEBI:24400)
IUPAC Name 
(6E,8E,10Z,16Z,18E,20Z,22E,26Z,28E)-13-(3,5-dihydroxyhexan-2-yl)-5-hydroxy-25-[(2S,3R,4S,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one