input word = C00017880

Metabolite InformationStructural formula
Name Demethylolivomycin A
Formula C57H82O26
Mw 1182.5094328
CAS RN 86917-61-5
C_ID C00017880 ,
InChIKey ZIUTZULQAIKKKE-UHFFFAOYNA-N
InChICode InChI=1S/C57H82O26/c1-21(2)56(69)83-55-27(8)76-42(20-57(55,10)70)80-36-17-40(73-24(5)48(36)65)79-35-18-41(74-25(6)47(35)64)82-54-32(53(71-11)51(68)45(62)22(3)58)14-30-12-29-13-31(15-33(60)43(29)49(66)44(30)50(54)67)78-39-19-37(52(26(7)75-39)77-28(9)59)81-38-16-34(61)46(63)23(4)72-38/h12-13,15,21-27,32,34-42,45-48,52-55,58,60-66,70H,14,16-20H2,1-11H3/t22-,23-,24-,25+,26+,27-,32+,34-,35+,36+,37+,38+,39-,40+,41-,42+,45+,46+,47-,48+,52+,53-,54+,55+,57+/m0/s1
SMILES [C@H]1([C@@H](O[C@@H](C[C@@]1(C)O)O[C@@H]1C[C@H](O[C@H]([C@H]1O)C)O[C@@H]1C[C@@H](O[C@@H]([C@@H]1O)C)O[C@H]1C(=O)c2c(C[C@@H]1[C@@H](C(=O)[C@H](O)[C@@H](O)C)OC)cc1c(c2O)c(cc(c1)O[C@@H]1O[C@@H]([C@H]([C@@H](C1)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)O)OC(=O)C)C)O)C)OC(=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces aburaviensis PA-39856 Ref.
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OrganismStreptomyces aburaviensis PA-39856
ReferenceKoenuma,J.Antibiotics,41,(1988),45