CHEBI:182763 - Rhodotoxine

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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 Rhodotoxine
ChEBI ID CHEBI:182763
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H36O7
Net Charge 0
Average Mass 412.523
Monoisotopic Mass 412.24610
InChI InChI=1S/C22H36O7/c1-11(23)29-17-12-6-7-13-20(5,27)14-8-15(24)18(2,3)22(14,28)16(25)9-21(13,17)10-19(12,4)26/h12-17,24-28H,6-10H2,1-5H3/t12-,13+,14+,15+,16+,17+,19-,20-,21+,22+/m1/s1
InChIKey NXCYBYJXCJWMRY-AEAYXKAASA-N
SMILES O([C@@H]1[C@@]23[C@]([C@@](O)([C@]4([C@](O)([C@@H](O)C2)C([C@@H](O)C4)(C)C)[H])C)(CC[C@]1([C@](O)(C3)C)[H])[H])C(=O)C
ChEBI Ontology
Outgoing Rhodotoxine (CHEBI:182763) is a diterpenoid (CHEBI:23849)
IUPAC Name
[(1S,3R,4R,6S,8S,9R,10R,13R,14R,16S)-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate
Manual Xrefs Databases
201353 ChemSpider
C09103 KEGG COMPOUND
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