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CHEBI:203612 - Spiroxin B

ChEBI IDCHEBI:203612
ChEBI NameSpiroxin B
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SubmitterMetaboLights
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FormulaC20H8Cl2O8
Net Charge0
Average Mass447.182
Monoisotopic Mass445.95962
SMILESO=C1c2c(O)c(Cl)cc3c2[C@@]2(Oc4cc(Cl)c(O)c5c4[C@]3(O2)[C@@H]2O[C@@H]2C5=O)[C@@H]2O[C@H]12
InChIInChI=1S/C20H8Cl2O8/c21-4-1-3-9-7(11(4)23)13(25)16-18(28-16)20(9)29-6-2-5(22)12(24)8-10(6)19(3,30-20)17-15(27-17)14(8)26/h1-2,15-18,23-24H/t15-,16-,17-,18-,19+,20+/m1/s1
InChIKeyNJXOYNMFAXWFQF-YRYYUTHUSA-N
ChEBI Ontology
Outgoing Relation(s)
Spiroxin B (CHEBI:203612) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
(1S,2R,4S,12S,13R,15S)-8,19-dichloro-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(24),7,9,17(23),18,20-hexaene-5,16-dione
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