CHEBI:199170 - 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:199170
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 C30H29NO10
Net Charge 0
Average Mass 563.559
Monoisotopic Mass 563.17915
InChI InChI=1S/C30H29NO10/c1-11-6-5-7-26(2,3)27(11)9-12-16-17(13(32)8-15(40-4)21(16)27)22(34)19-20(12)30(39)28(41-30)10-14(33)18(25(31)37)23(35)29(28,38)24(19)36/h6,8,32,34-35,38-39H,5,7,9-10H2,1-4H3,(H2,31,37)
InChIKey ZNUNOBNZBFSHLJ-UHFFFAOYSA-N
SMILES O=C1C2=C(O)C3=C(O)C=C(OC)C4=C3C(=C2C5(O)C6(C1(O)C(O)=C(C(=O)C6)C(=O)N)O5)CC74C(=CCCC7(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:199170) is a tetracyclines (CHEBI:26895)
IUPAC Name
3,9,10,13,15-pentahydroxy-17-methoxy-1',5',5'-trimethyl-7,11-dioxospiro[4-oxahexacyclo[12.6.1.02,12.03,5.05,10.018,21]henicosa-1(21),2(12),8,13,15,17-hexaene-19,6'-cyclohexene]-8-carboxamide
Manual Xref Database
78443698 ChemSpider
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