CHEBI:211808 - Spiroxin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Spiroxin A
ChEBI ID CHEBI:211808
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H9ClO8
Net Charge 0
Average Mass 412.730
Monoisotopic Mass 411.99859
InChI InChI=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
InChIKey BBJLBASQCADFCV-YRYYUTHUSA-N
SMILES ClC1=C(O)C=2C(=O)[C@H]3O[C@H]3[C@]45C2C(=C1)[C@]6(O4)C7=C(C(O)=CC=C7O5)C(=O)[C@@H]8[C@H]6O8
ChEBI Ontology
Outgoing 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
Manual Xref Database
8245839 ChemSpider
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