CHEBI:209299 - Dragocin B

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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 Dragocin B
ChEBI ID CHEBI:209299
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H22ClNO7
Net Charge 0
Average Mass 387.810
Monoisotopic Mass 387.10848
InChI InChI=1S/C17H22ClNO7/c1-23-9-4-2-8(3-5-9)13-11-14(10(20)6-19-11)25-16-12(21)15(22)17(18,26-16)7-24-13/h2-5,10-16,19-22H,6-7H2,1H3/t10-,11+,12+,13+,14+,15-,16+,17+/m0/s1
InChIKey SIXWLVWKNCZWEF-UYCJJKJYSA-N
SMILES Cl[C@@]12O[C@@H](O[C@@H]3[C@@H](O)CN[C@@H]3[C@H](OC1)C4=CC=C(OC)C=C4)[C@@H]([C@@H]2O)O
ChEBI Ontology
Outgoing Dragocin B (CHEBI:209299) is a methoxybenzenes (CHEBI:51683)
IUPAC Name
(1R,3S,4S,7R,8R,11S,12S,13R)-11-chloro-8-(4-methoxyphenyl)-2,9,14-trioxa-6-azatricyclo[9.2.1.03,7]tetradecane-4,12,13-triol
Manual Xref Database
71078913 ChemSpider
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