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CHEBI:201603 - Miophytocen C

ChEBI IDCHEBI:201603
ChEBI NameMiophytocen C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O10
Net Charge0
Average Mass546.613
Monoisotopic Mass546.24650
SMILESC/C1=C/C(=O)OC[C@]23CC[C@](C)(O)[C@H]4CC5(O)C(O[C@H]42)C(O)C(OC(=O)/C=C\C=C/[C@@H]2O[C@H](C1)O[C@H]2C)C53C
InChIInChI=1S/C29H38O10/c1-15-11-20(31)35-14-28-10-9-26(3,33)17-13-29(34)25(39-23(17)28)22(32)24(27(28,29)4)38-19(30)8-6-5-7-18-16(2)36-21(12-15)37-18/h5-8,11,16-18,21-25,32-34H,9-10,12-14H2,1-4H3/b7-5-,8-6-,15-11-/t16-,17-,18-,21+,22?,23+,24?,25?,26-,27?,28+,29?/m0/s1
InChIKeyHWKRKZKQSUCWKS-IQUHLLDUSA-N
Species of MetaboliteComponentSourceComments
Albifimbria verrucaria (ncbitaxon:1859699) - PubMed (13678412)
ChEBI Ontology
Outgoing Relation(s)
Miophytocen C (CHEBI:201603) is a macrolide (CHEBI:25106)
IUPAC Name 
(6Z,8Z,10S,11S,13R,15Z,20R,23S,24S,25R)-1,23,29-trihydroxy-2,11,15,23-tetramethyl-4,12,18,26,30-pentaoxahexacyclo[22.3.1.13,27.110,13.02,20.020,25]triaconta-6,8,15-triene-5,17-dione