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CHEBI:189235 - Tartrolon A

ChEBI IDCHEBI:189235
ChEBI NameTartrolon A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H72O14
Net Charge0
Average Mass849.068
Monoisotopic Mass848.49221
SMILES[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(O)C(=O)OC(C)CC/C=C\C=C\CCC(O)CC(=O)C(C)[C@]1([H])CC[C@@H](C)[C@@](O)(O1)C(O)C(=O)OC(C)CC/C=C\C=C\CCC(O)CC(=O)C2C
InChIInChI=1S/C46H72O14/c1-29-23-25-39-33(5)37(49)27-35(47)21-17-13-10-8-12-16-20-32(4)58-44(54)42(52)46(56)30(2)24-26-40(60-46)34(6)38(50)28-36(48)22-18-14-9-7-11-15-19-31(3)57-43(53)41(51)45(29,55)59-39/h7-14,29-36,39-42,47-48,51-52,55-56H,15-28H2,1-6H3/b11-7-,12-8-,13-10+,14-9+/t29-,30-,31?,32?,33?,34?,35?,36?,39+,40+,41?,42?,45-,46-/m1/s1
InChIKeyXQJJKTZLLUVWBB-RTPDCJFMSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Tartrolon A (CHEBI:189235) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,8Z,10E,18S,21R,22R,29Z,31E,39S,42R)-1,2,14,22,23,35-hexahydroxy-5,17,21,26,38,42-hexamethyl-4,25,43,44-tetraoxatricyclo[37.3.1.118,22]tetratetraconta-8,10,29,31-tetraene-3,16,24,37-tetrone
Manual XrefsDatabases
8616010ChemSpider