CHEBI:211838 - Streptoanthraquinone A

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 Streptoanthraquinone A
ChEBI ID CHEBI:211838
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H22O8
Net Charge 0
Average Mass 486.476
Monoisotopic Mass 486.13147
InChI InChI=1S/C28H22O8/c1-10-7-15-14(17(31)8-10)9-18-21-20(15)27(34)24-22(23(21)28(11(2)35-18)36-12(3)29)26(33)19-13(25(24)32)5-4-6-16(19)30/h4-8,11,18,28,30-31,34H,9H2,1-3H3/t11-,18+,28+/m1/s1
InChIKey HTMHRMTVLWOVAR-IHHQDRDUSA-N
SMILES O=C1C2=C(O)C=CC=C2C(=O)C3=C1C4=C5[C@@H](O[C@@H]([C@@H]4OC(=O)C)C)CC6=C(C5=C3O)C=C(C)C=C6O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Streptoanthraquinone A (CHEBI:211838) is a quinone (CHEBI:36141)
Streptoanthraquinone A (CHEBI:211838) is a tetracenes (CHEBI:51270)
IUPAC Name
[(21S,23R,24R)-5,12,18-trihydroxy-16,23-dimethyl-3,10-dioxo-22-oxahexacyclo[11.11.1.02,11.04,9.014,19.021,25]pentacosa-1,4(9),5,7,11,13(25),14(19),15,17-nonaen-24-yl] acetate
Manual Xref Database
78439212 ChemSpider
View more database links