CHEBI:219739 - Previridicatumtoxin

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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 Previridicatumtoxin
ChEBI ID CHEBI:219739
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C30H33NO10
Net Charge 0
Average Mass 567.591
Monoisotopic Mass 567.21045
InChI InChI=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
InChIKey AGMPGRYRWNVPEQ-BJTDMJNKSA-N
SMILES O=C1C2=C(O)C3=C(O)C=C(OC)C=C3C(=C2[C@H](O)[C@@]4([C@@]1(O)C(O)=C(C(=O)C4)C(=O)N)O)C/C=C(/CCC=C(C)C)\C
Metabolite of Species Details
Penicillium aethiopicum (NCBI:txid36650) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via tetracyclines )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
78442846 ChemSpider
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