CHEBI:205410 - Saccharosacrin E

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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 Saccharosacrin E
ChEBI ID CHEBI:205410
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C62H93NO17
Net Charge 0
Average Mass 1124.416
Monoisotopic Mass 1123.64435
InChI InChI=1S/C62H93NO17/c1-14-15-39-16-17-40-24-33(6)53(79-49-28-60(12,71)56(37(10)75-49)63-38(11)64)31(4)22-29(2)42-19-18-41-51(61(42,13)57(68)50-58(69)62(40,27-39)80-59(50)70)30(3)23-32(5)54(41)77-46-21-20-45(34(7)72-46)76-47-26-44(66)55(36(9)74-47)78-48-25-43(65)52(67)35(8)73-48/h16-19,22,24,30-32,34-37,39-49,51-56,65-68,71H,14-15,20-21,23,25-28H2,1-13H3,(H,63,64)/b29-22+,33-24+,57-50?
InChIKey KBOYRXVIDOFUDV-WMGFKNOFSA-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)O)C)CC7)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 E (CHEBI:205410) is a sesterterpenoid (CHEBI:26660)
IUPAC Name
N-[6-[[(7E,11E)-17-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-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