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CHEBI:218689 - Sorbicillamine B

ChEBI IDCHEBI:218689
ChEBI NameSorbicillamine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33NO8
Net Charge0
Average Mass511.571
Monoisotopic Mass511.22062
SMILESC/C=C/C=C/C(O)=C1/C(O)=C(C)C(=O)[C@@]2(C)O[C@@]3(O)[C@@](C)(O)C4=N[C@H](/C=C/C)CC(=O)C4=C(O)[C@@]3(C)[C@@H]12
InChIInChI=1S/C28H33NO8/c1-7-9-10-12-16(30)18-20(32)14(3)23(33)26(5)21(18)25(4)24(34)19-17(31)13-15(11-8-2)29-22(19)27(6,35)28(25,36)37-26/h7-12,15,21,30,32,34-36H,13H2,1-6H3/b9-7+,11-8+,12-10+,18-16+/t15-,21-,25-,26+,27+,28-/m1/s1
InChIKeyCKKVKBLGPLJNEM-QEOHZBGUSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies F23-2 (ncbitaxon:543960) - PubMed (24215398)
ChEBI Ontology
Outgoing Relation(s)
Sorbicillamine B (CHEBI:218689) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(2S,5aR,5bR,6Z,9aS,10aR,11S)-5,7,10a,11-tetrahydroxy-6-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-5a,8,9a,11-tetramethyl-2-[(E)-prop-1-enyl]-3,5b-dihydro-2H-[1]benzouro[3,2-g]quinoline-4,9-dione
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78437607ChemSpider