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CHEBI:198789 - Pyrrolocin B

ChEBI IDCHEBI:198789
ChEBI NamePyrrolocin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H37NO5
Net Charge0
Average Mass443.584
Monoisotopic Mass443.26717
SMILESCC1=C[C@@H]2C[C@@H](C)CC[C@@H]2[C@@](C)(C(O)=C2C(=O)N[C@H](CO)C2=O)[C@@H]1/C=C/C=C/C[C@@H](C)O
InChIInChI=1S/C26H37NO5/c1-15-10-11-20-18(12-15)13-16(2)19(9-7-5-6-8-17(3)29)26(20,4)24(31)22-23(30)21(14-28)27-25(22)32/h5-7,9,13,15,17-21,28-29,31H,8,10-12,14H2,1-4H3,(H,27,32)/b6-5+,9-7+,24-22?/t15-,17+,18-,19+,20-,21+,26-/m0/s1
InChIKeyFJSDCBCMOLWEOW-VGFYQSIFSA-N
ChEBI Ontology
Outgoing Relation(s)
Pyrrolocin B (CHEBI:198789) is a pyrrolidinone (CHEBI:38275)
IUPAC Name 
(5R)-3-[[(1R,2R,4aS,6S,8aS)-2-[(1E,3E,6R)-6-hydroxyhepta-1,3-dienyl]-1,3,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(hydroxymethyl)pyrrolidine-2,4-dione
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