CHEBI:224641 - Chloriolin 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 Chloriolin B
ChEBI ID CHEBI:224641
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H35ClO7
Net Charge 0
Average Mass 458.980
Monoisotopic Mass 458.20713
InChI InChI=1S/C23H35ClO7/c1-5-6-7-8-9-13(26)20(29)31-19-14-12(10-21(19,2)3)17(27)15-16(24)18(28)23(30,11-25)22(14,15)4/h12-14,17,19,25-27,30H,5-11H2,1-4H3/t12-,13?,14-,17-,19+,22-,23-/m0/s1
InChIKey OEQVWIAOBFYYLM-QTMJIHRVSA-N
SMILES ClC=1C(=O)[C@@](O)(CO)[C@@]2(C1[C@@H](O)[C@H]3CC([C@@H]([C@@H]23)OC(=O)C(O)CCCCCC)(C)C)C
ChEBI Ontology
Outgoing Chloriolin B (CHEBI:224641) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
[(3S,3aS,3bR,4R,6aS,7S)-1-chloro-3,7-dihydroxy-3-(hydroxymethyl)-3a,5,5-trimethyl-2-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalen-4-yl] 2-hydroxyoctanoate
Manual Xref Database
8654715 ChemSpider
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