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CHEBI:219606 - Isatropolone C

ChEBI IDCHEBI:219606
ChEBI NameIsatropolone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O10
Net Charge0
Average Mass472.446
Monoisotopic Mass472.13695
SMILESCCC(O)C(=O)C1=C2C=C(C)Oc3c4c(c(=O)cc(c32)C1=O)[C@]1(O)[C@H](O4)O[C@H](C)[C@@H](OC)[C@H]1O
InChIInChI=1S/C24H24O10/c1-5-12(25)18(28)15-10-6-8(2)32-20-14(10)11(17(15)27)7-13(26)16-21(20)34-23-24(16,30)22(29)19(31-4)9(3)33-23/h6-7,9,12,19,22-23,25,29-30H,5H2,1-4H3/t9-,12?,19-,22-,23+,24-/m1/s1
InChIKeyFJIHFMJLBDPWBJ-NVGKCDGJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28371116)
ChEBI Ontology
Outgoing Relation(s)
Isatropolone C (CHEBI:219606) is a oxacycle (CHEBI:38104)
IUPAC Name 
(4S,6R,7S,8R,9R)-8,9-dihydroxy-15-(2-hydroxybutanoyl)-7-methoxy-6,18-dimethyl-3,5,19-trioxapentacyclo[11.6.1.02,10.04,9.016,20]icosa-1(20),2(10),12,15,17-pentaene-11,14-dione
Manual XrefsDatabases
78440640ChemSpider