input word = C00016053

Metabolite InformationStructural formula
Name Heliquinomycin
NSC 702208
Rubymycin
Formula C33H30O17
Mw 698.14829954
CAS RN 178182-49-5
C_ID C00016053 ,
InChIKey MLFZQFHGXSVTGX-KEOPEIOPNA-N
InChICode InChI=1S/C33H30O17/c1-10-23(36)15(44-3)9-18(46-10)48-30-22-25(38)20-13(34)8-14(43-2)24(37)21(20)27(40)29(22)50-33(30)17(35)7-12-5-11-6-16(31(41)45-4)47-32(42)19(11)26(39)28(12)49-33/h5-6,8,10,15,17-18,23,30,35-36,38-40H,7,9H2,1-4H3/t10-,15-,17+,18+,23+,30+,33+/m0/s1
SMILES c12c(C[C@H]([C@@]3(O1)Oc1c([C@H]3O[C@@H]3C[C@@H]([C@@H]([C@@H](O3)C)O)OC)c(c3c(c1O)C(=O)C(=CC3=O)OC)O)O)cc1c(c2O)c(=O)oc(c1)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. MJ929-SF2 Ref.
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OrganismStreptomyces sp. MJ929-SF2
ReferenceChino,J. Antibiotics,51,(1998),480