CHEBI:190823 - Cyclocalamin

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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 Cyclocalamin
ChEBI ID CHEBI:190823
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H34O9
Net Charge 0
Average Mass 502.560
Monoisotopic Mass 502.22028
InChI InChI=1S/C27H34O9/c1-23(2)18-17(29)19(30)26(5)14(25(18,4)15(35-23)11-16(28)32-6)7-9-24(3)20(13-8-10-33-12-13)34-22(31)21-27(24,26)36-21/h8,10,12,14-15,18-21,30H,7,9,11H2,1-6H3
InChIKey QZEZEIDFGQZYKE-UHFFFAOYSA-N
SMILES O1C23C4(C(C5(C(C(=O)C4O)C(OC5CC(OC)=O)(C)C)C)CCC2(C(OC(=O)C13)C=6C=COC6)C)C
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing Cyclocalamin (CHEBI:190823) is a steroid lactone (CHEBI:26766)
IUPAC Name
methyl 2-[7-(uran-3-yl)-18-hydroxy-1,8,12,15,15-pentamethyl-5,17-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-13-yl]acetate
Manual Xrefs Databases
35014036 ChemSpider
HMDB0035863 HMDB
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