CHEBI:197817 - Saccharosacrin B

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 Saccharosacrin B
ChEBI ID CHEBI:197817
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C68H103NO20
Net Charge 0
Average Mass 1254.559
Monoisotopic Mass 1253.70734
InChI InChI=1S/C68H103NO20/c1-15-16-42-17-18-43-25-35(6)58(88-54-30-66(13,78)62(40(11)83-54)69-41(12)70)33(4)23-31(2)45-20-19-44-56(67(45,14)63(75)55-64(76)68(43,29-42)89-65(55)77)32(3)24-34(5)59(44)85-52-27-48(73)60(38(9)81-52)86-53-28-49(84-50-22-21-46(71)36(7)79-50)61(39(10)82-53)87-51-26-47(72)57(74)37(8)80-51/h17-20,23,25,32-34,36-40,42-54,56-62,71-75,78H,15-16,21-22,24,26-30H2,1-14H3,(H,69,70)/b31-23+,35-25+,63-55?
InChIKey FTJFZVCDBWMLHW-RYWINWIOSA-N
SMILES O=C1OC23C(C=C(C(OC4OC(C(NC(=O)C)C(C4)(O)C)C)C(C)C=C(C5C(C(=C1C2=O)O)(C6C(C(OC7OC(C(OC8OC(C(OC9OC(C(O)C(C9)O)C)C(C8)OC%10OC(C(O)CC%10)C)C)C(C7)O)C)C(C)CC6C)C=C5)C)C)C)C=CC(C3)CCC
Metabolite of Species Details
Saccharothrix (NCBI:txid2071) See: PubMed
ChEBI Ontology
Outgoing Saccharosacrin B (CHEBI:197817) is a terpene glycoside (CHEBI:61777)
IUPAC Name
N-[6-[[(7E,11E)-17-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-23-hydroxy-8,10,12,18,20,22-hexamethyl-25,27-dioxo-3-propyl-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl]acetamide