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CHEBI:211808 - Spiroxin A

ChEBI IDCHEBI:211808
ChEBI NameSpiroxin A
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FormulaC20H9ClO8
Net Charge0
Average Mass412.737
Monoisotopic Mass411.99859
SMILESO=C1c2c(O)c(Cl)cc3c2[C@@]2(Oc4ccc(O)c5c4[C@]3(O2)[C@@H]2O[C@@H]2C5=O)[C@@H]2O[C@H]12
InChIInChI=1S/C20H9ClO8/c21-5-3-4-10-9(12(5)23)14(25)16-18(27-16)20(10)28-7-2-1-6(22)8-11(7)19(4,29-20)17-15(26-17)13(8)24/h1-3,15-18,22-23H/t15-,16-,17-,18-,19+,20+/m1/s1
InChIKeyBBJLBASQCADFCV-YRYYUTHUSA-N
ChEBI Ontology
Outgoing Relation(s)
Spiroxin A (CHEBI:211808) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
(1S,2R,4S,12S,13R,15S)-19-chloro-7,18-dihydroxy-3,11,14,22-tetraoxaoctacyclo[10.9.1.11,6.112,17.02,4.013,15.010,24.021,23]tetracosa-6,8,10(24),17(23),18,20-hexaene-5,16-dione
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