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CHEBI:218900 - Guanacastepene J

ChEBI IDCHEBI:218900
ChEBI NameGuanacastepene J
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SubmitterMetaboLights
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FormulaC21H28O5
Net Charge0
Average Mass360.450
Monoisotopic Mass360.19367
SMILESCO[C@H]1C(=O)C2=C3OC(=O)C4=C3[C@@](C)(CC[C@@H]4O)CC[C@]2(C)[C@H]1C(C)C
InChIInChI=1S/C21H28O5/c1-10(2)13-18(25-5)16(23)15-17-14-12(19(24)26-17)11(22)6-7-20(14,3)8-9-21(13,15)4/h10-11,13,18,22H,6-9H2,1-5H3/t11-,13-,18+,20-,21+/m0/s1
InChIKeyQBSRGNPLVRWLLQ-OJOIHCRVSA-N
ChEBI Ontology
Outgoing Relation(s)
Guanacastepene J (CHEBI:218900) is a butenolide (CHEBI:50523)
IUPAC Name 
(4R,5R,6R,9R,12S)-12-hydroxy-4-methoxy-6,9-dimethyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,13(16)-diene-3,14-dione
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32742594ChemSpider