CHEBI:202818 - Aranciamycin I

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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 Aranciamycin I
ChEBI ID CHEBI:202818
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H26O10
Net Charge 0
Average Mass 486.473
Monoisotopic Mass 486.15260
InChI InChI=1S/C25H26O10/c1-9-18(27)22(31)23(32)24(34-9)35-14-8-25(2,33)7-10-6-12-17(20(29)15(10)14)21(30)16-11(19(12)28)4-3-5-13(16)26/h3-6,9,14,18,22-24,26-27,29,31-33H,7-8H2,1-2H3/t9-,14-,18-,22+,23+,24-,25+/m0/s1
InChIKey DDBVKKCFOGHUJY-KAEPNFDUSA-N
SMILES O=C1C2=C(O)C3=C(C[C@](O)(C)C[C@@H]3O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O)O)C)C=C2C(=O)C=5C1=C(O)C=CC5
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 Aranciamycin I (CHEBI:202818) is a anthracycline (CHEBI:48120)
IUPAC Name
(7S,9R)-4,6,9-trihydroxy-9-methyl-7-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual Xref Database
8203940 ChemSpider
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