CHEBI:197237 - CEDRELONE

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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 CEDRELONE
ChEBI ID CHEBI:197237
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H30O5
Net Charge 0
Average Mass 422.521
Monoisotopic Mass 422.20932
InChI InChI=1S/C26H30O5/c1-22(2)17(27)7-9-23(3)16-6-10-24(4)15(14-8-11-30-13-14)12-18-26(24,31-18)25(16,5)21(29)19(28)20(22)23/h7-9,11,13,15-16,18,28H,6,10,12H2,1-5H3/t15-,16+,18+,23+,24-,25-,26+/m0/s1
InChIKey OQMUOVSEPOBWMK-BWLMZZBKSA-N
SMILES O1[C@@]23[C@]([C@@H](C[C@@]12[H])C=4C=COC4)(CC[C@]5([C@]3(C(=O)C(O)=C6[C@]5(C)C=CC(=O)C6(C)C)C)[H])C
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
ChEBI Ontology
Outgoing CEDRELONE (CHEBI:197237) is a limonoid (CHEBI:39434)
IUPAC Name
(1R,2R,4R,6S,7S,10R,11R)-6-(uran-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-diene-14,18-dione
Manual Xref Database
10222113 ChemSpider
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