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 COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(OC(C)=O)C(C)O4)cc(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(OC(=O)C(C)C)C(C)O3)C(O)C(C)O2)C(O)C(C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces aburaviensis PA-39856 Ref.
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