CHEBI:201120 - Coloradocin

ChEBI IDCHEBI:201120
ChEBI NameColoradocin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38O12
Net Charge0
Average Mass614.644
Monoisotopic Mass614.23633
SMILESCOC1CC2C=CC3CC4OC2(C(C)=CC2COC(=O)CCC5=C(C=COCC(O)C2OC1=O)C(=O)OC5=O)C3C(O)C4C
InChIInChI=1S/C32H38O12/c1-15-10-18-13-41-25(34)7-6-20-21(30(37)43-29(20)36)8-9-40-14-22(33)28(18)42-31(38)24(39-3)12-19-5-4-17-11-23-16(2)27(35)26(17)32(15,19)44-23/h4-5,8-10,16-19,22-24,26-28,33,35H,6-7,11-14H2,1-3H3
InChIKeyUGSGHHXIPUAOBJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Actinoplanes (ncbitaxon:1865) - PubMed (3680003)
ChEBI Ontology
Outgoing Relation(s)
Coloradocin (CHEBI:201120) has functional parent tetracarboxylic acid (CHEBI:35742)
Coloradocin (CHEBI:201120) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
19,32-dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.01,25.04,20.010,14.028,33]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone