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CHEBI:186542 - Goniodomin A

ChEBI IDCHEBI:186542
ChEBI NameGoniodomin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H60O12
Net Charge0
Average Mass768.941
Monoisotopic Mass768.40848
SMILESC=C1CC(O)C2OC1C(=O)OC(C1(O)OCCC(C)C1C)/C=C\CC(O)C(O)C(=C)C1CCC(O1)C1C=CCC(O1)C1CCC(=C)C3(CC(C)C(=C)C2O3)O1
InChIInChI=1S/C43H60O12/c1-22-18-19-49-43(48,28(22)7)36-13-8-10-29(44)37(46)27(6)31-16-17-34(50-31)32-11-9-12-33(51-32)35-15-14-25(4)42(54-35)21-24(3)26(5)39(55-42)40-30(45)20-23(2)38(53-40)41(47)52-36/h8-9,11,13,22,24,28-40,44-46,48H,2,4-6,10,12,14-21H2,1,3,7H3/b13-8-
InChIKeyUBLDAHNUOSMNHW-JYRVWZFOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Goniodomin A (CHEBI:186542) is a macrolide (CHEBI:25106)
IUPAC Name 
(19Z)-16,17,27-trihydroxy-21-(2-hydroxy-3,4-dimethyloxan-2-yl)-31-methyl-2,15,25,30-tetramethylidene-22,33,34,35,36,37-hexaoxahexacyclo[27.3.1.11,5.16,10.111,14.124,28]heptatriaconta-8,19-dien-23-one
Manual XrefsDatabases
4945078ChemSpider
Registry NumbersSources
CAS:112923-40-7ChemIDplus