CHEBI:225260 - Sorbicillamine D

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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 Sorbicillamine D
ChEBI ID CHEBI:225260
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H33NO8
Net Charge 0
Average Mass 511.571
Monoisotopic Mass 511.22062
InChI InChI=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
InChIKey KLXXKWOLJFCOEV-UOMCFBQTSA-N
SMILES O=C1C(=C(O)/C(=C(\O)/C=C/C=C/C)/[C@H]2[C@@]1(O[C@@]3(O)[C@@](O)(C(=N)C(C([C@@]23C)=O)=C(O)/C=C/C=C/C)C)C)C
Metabolite of Species Details
Penicilliumspecies F23-2 (NCBI:txid543960) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78437774 ChemSpider
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