CHEBI:203280 - 2-Demethylsteffimycin D

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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 2-Demethylsteffimycin D
ChEBI ID CHEBI:203280
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H30O12
Net Charge 0
Average Mass 546.525
Monoisotopic Mass 546.17373
InChI InChI=1S/C27H30O12/c1-9-18(30)22(34)24(36-3)26(38-9)39-23-15-10(8-27(2,35)25(23)37-4)5-12-17(20(15)32)21(33)16-13(19(12)31)6-11(28)7-14(16)29/h5-7,9,18,22-26,28-30,32,34-35H,8H2,1-4H3
InChIKey MGNUINXAJYRUGK-UHFFFAOYSA-N
SMILES O=C1C2=C(O)C3=C(CC(O)(C)C(C3OC4OC(C(O)C(C4OC)O)C)OC)C=C2C(=O)C=5C1=C(O)C=C(O)C5
Metabolite of Species Details
Streptomyces (NCBI:txid1883) 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 anthracycline )
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ChEBI Ontology
Outgoing 2-Demethylsteffimycin D (CHEBI:203280) is a anthracycline (CHEBI:48120)
IUPAC Name
7-(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy-2,4,6,9-tetrahydroxy-8-methoxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione
Manual Xref Database
2339320 ChemSpider
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