EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219739 - Previridicatumtoxin

ChEBI IDCHEBI:219739
ChEBI NamePreviridicatumtoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H33NO10
Net Charge0
Average Mass567.591
Monoisotopic Mass567.21045
SMILESCOc1cc(O)c2c(O)c3c(c(C/C=C(\C)CCC=C(C)C)c2c1)[C@H](O)[C@@]1(O)CC(=O)C(C(N)=O)=C(O)[C@@]1(O)C3=O
InChIInChI=1S/C30H33NO10/c1-13(2)6-5-7-14(3)8-9-16-17-10-15(41-4)11-18(32)20(17)24(34)23-21(16)25(35)29(39)12-19(33)22(28(31)38)26(36)30(29,40)27(23)37/h6,8,10-11,25,32,34-36,39-40H,5,7,9,12H2,1-4H3,(H2,31,38)/b14-8+/t25-,29-,30+/m0/s1
InChIKeyAGMPGRYRWNVPEQ-BJTDMJNKSA-N
Species of MetaboliteComponentSourceComments
Penicillium aethiopicum (ncbitaxon:36650) - PubMed (22590971)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Previridicatumtoxin (CHEBI:219739) is a tetracyclines (CHEBI:26895)
IUPAC Name 
(4aS,5S,12aS)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,4a,5,10,11,12a-hexahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracene-2-carboxamide
Manual XrefsDatabases
78442846ChemSpider