CHEBI:198228 - Brevione J

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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 Brevione J
ChEBI ID CHEBI:198228
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H36O5
Net Charge 0
Average Mass 440.580
Monoisotopic Mass 440.25627
InChI InChI=1S/C27H36O5/c1-14-12-18(28)22-25(6)10-9-20(29)24(4,5)19(25)8-11-26(22,7)27(14)13-17-21(32-27)15(2)16(3)31-23(17)30/h12,18-19,22,28H,8-11,13H2,1-7H3/t18-,19-,22+,25-,26+,27-/m0/s1
InChIKey FORDHAJROPSPER-OBSXHCQDSA-N
SMILES O=C1OC(=C(C)C2=C1C[C@@]3(C(=C[C@H](O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(C5(C)C)=O)C)C)C)O2)C
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: PubMed
ChEBI Ontology
Outgoing Brevione J (CHEBI:198228) is a diterpene lactone (CHEBI:49193)
IUPAC Name
(2S,4'aS,4'bR,5'S,8'aR,10'aR)-5'-hydroxy-1',1',4'a,6,7,7',8'a-heptamethylspiro[3H-uro[3,2-c]pyran-2,8'-4,4b,5,9,10,10a-hexahydro-3H-phenanthrene]-2',4-dione
Manual Xref Database
29214756 ChemSpider
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