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CHEBI:225260 - Sorbicillamine D

ChEBI IDCHEBI:225260
ChEBI NameSorbicillamine D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33NO8
Net Charge0
Average Mass511.571
Monoisotopic Mass511.22062
SMILESC/C=C/C=C/C(O)=C1C(=N)[C@](C)(O)[C@]2(O)O[C@]3(C)C(=O)C(C)=C(O)/C(=C(O)/C=C/C=C/C)[C@@H]3[C@]2(C)C1=O
InChIInChI=1S/C28H33NO8/c1-7-9-11-13-16(30)18-20(32)15(3)23(33)26(5)21(18)25(4)24(34)19(17(31)14-12-10-8-2)22(29)27(6,35)28(25,36)37-26/h7-14,21,29-32,35-36H,1-6H3/b9-7+,10-8+,13-11+,14-12+,18-16+,19-17?,29-22?/t21-,25-,26+,27+,28-/m1/s1
InChIKeyKLXXKWOLJFCOEV-UOMCFBQTSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies F23-2 (ncbitaxon:543960) - PubMed (24215398)
ChEBI Ontology
Outgoing Relation(s)
Sorbicillamine D (CHEBI:225260) is a quinone imine (CHEBI:50193)
IUPAC Name 
(4S,4aR,5aS,9Z,9aR,9bR)-4,4a,8-trihydroxy-2,9-bis[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-3-imino-4,5a,7,9b-tetramethyl-9aH-dibenzouran-1,6-dione
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