input word = C00018673

Metabolite InformationStructural formula
Name Aburamycin B
Formula C57H82O26
Mw 1182.5094328
CAS RN 7059-24-7
C_ID C00018673 ,
InChIKey ZYVSOIYQKUDENJ-ASVSFDSJNA-N
InChICode InChI=1S/C57H82O26/c1-21-34(79-40-19-37(53(26(6)75-40)77-28(8)59)82-38-16-33(61)52(70-11)25(5)74-38)15-31-13-30-14-32(54(71-12)51(68)46(63)22(2)58)55(50(67)44(30)49(66)43(31)45(21)62)83-41-18-35(47(64)24(4)73-41)80-39-17-36(48(65)23(3)72-39)81-42-20-57(10,69)56(27(7)76-42)78-29(9)60/h13,15,22-27,32-33,35-42,46-48,52-56,58,61-66,69H,14,16-20H2,1-12H3/t22-,23-,24-,25+,26+,27-,32-,33+,35-,36+,37+,38-,39+,40-,41+,42+,46+,47+,48+,52-,53-,54+,55+,56+,57+/m1/s1
SMILES c12c(C(=O)[C@H]([C@H](C1)[C@H](OC)C(=O)[C@H]([C@@H](C)O)O)O[C@H]1C[C@H]([C@H]([C@H](O1)C)O)O[C@H]1C[C@@H]([C@H]([C@H](O1)C)O)O[C@@H]1O[C@@H]([C@@H]([C@](C1)(O)C)OC(=O)C)C)c(c1c(c2)cc(c(c1O)C)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)OC(=O)C)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces aburaviensis sp. n. S-66 Ref.
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OrganismStreptomyces aburaviensis sp. n. S-66
ReferenceNishimura,J. Antibiotics Series A,10,(1957),205