CHEBI:225819 - 3,8-didemethyltetracenomycinC

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 3,8-didemethyltetracenomycinC
ChEBI ID CHEBI:225819
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H16O11
Net Charge 0
Average Mass 444.348
Monoisotopic Mass 444.06926
InChI InChI=1S/C21H16O11/c1-6-12-7(4-9(22)13(6)19(29)32-2)3-8-14(15(12)25)18(28)20(30)11(24)5-10(23)17(27)21(20,31)16(8)26/h3-5,17,22,24-25,27,30-31H,1-2H3/t17-,20-,21-/m1/s1
InChIKey RRSIJNHHCFDBAO-DUXKGJEZSA-N
SMILES O=C1C2=C(O)C=3C(=CC(O)=C(C3C)C(=O)OC)C=C2C(=O)[C@@]4([C@@]1(O)C(O)=CC(=O)[C@H]4O)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing 3,8-didemethyltetracenomycinC (CHEBI:225819) is a quinone (CHEBI:36141)
3,8-didemethyltetracenomycinC (CHEBI:225819) is a tetracenes (CHEBI:51270)
IUPAC Name
methyl (6aR,7S,10aS)-3,6a,7,10,10a,12-hexahydroxy-1-methyl-6,8,11-trioxo-7H-tetracene-2-carboxylate
Manual Xref Database
78442678 ChemSpider
View more database links