CHEBI:218823 - (+)-viridicatumtoxin B

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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 (+)-viridicatumtoxin B
ChEBI ID CHEBI:218823
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H29NO10
Net Charge 0
Average Mass 563.559
Monoisotopic Mass 563.17915
InChI InChI=1S/C30H29NO10/c1-11-6-5-7-27(2,3)28(11)9-12-16-18(13(32)8-15(41-4)21(16)28)22(34)20-17(12)23(35)29(39)10-14(33)19(26(31)38)24(36)30(29,40)25(20)37/h6,8,32,34,36,39-40H,5,7,9-10H2,1-4H3,(H2,31,38)/t28-,29-,30+/m0/s1
InChIKey WUFPHUQCGWRGKE-OIFRRMEBSA-N
SMILES O=C1C2=C(O)C3=C(O)C=C(OC)C4=C3C(=C2C(=O)[C@@]5([C@@]1(O)C(O)=C(C(=O)C5)C(=O)N)O)C[C@@]64C(=CCCC6(C)C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) 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 )
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ChEBI Ontology
Outgoing (+)-viridicatumtoxin B (CHEBI:218823) is a tetracyclines (CHEBI:26895)
IUPAC Name
(4'R,6S,9'S)-4',8',9',12',14'-pentahydroxy-16'-methoxy-1,5,5-trimethyl-3',6',10'-trioxospiro[cyclohexene-6,18'-pentacyclo[11.6.1.02,11.04,9.017,20]icosa-1(20),2(11),7,12,14,16-hexaene]-7'-carboxamide
Manual Xref Database
78441369 ChemSpider
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