input word = C00049918

Metabolite InformationStructural formula
Name 11,11'-O-Dimethylelaiophylin
Formula C56H92O18
Mw 1052.62836614
CAS RN 124528-71-8
C_ID C00049918 ,
InChIKey BQBQRISTBZWETD-GJJXPVOTNA-N
InChICode InChI=1S/C56H92O18/c1-15-39-35(9)73-55(65-13,27-43(39)69-47-25-41(57)51(63)37(11)67-47)33(7)49(61)31(5)53-29(3)21-17-19-24-46(60)72-54(30(4)22-18-20-23-45(59)71-53)32(6)50(62)34(8)56(66-14)28-44(40(16-2)36(10)74-56)70-48-26-42(58)52(64)38(12)68-48/h17-24,29-44,47-54,57-58,61-64H,15-16,25-28H2,1-14H3/b21-17+,22-18+,23-20+,24-19+/t29-,30-,31-,32-,33-,34-,35+,36+,37-,38-,39+,40+,41-,42-,43+,44+,47-,48-,49+,50+,51+,52+,53-,54-,55+,56+/m0/s1
SMILES CC[C@@H]1[C@@H](C)O[C@@](OC)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]3(OC)C[C@@H](O[C@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](CC)[C@@H](C)O3)OC(=O)/C=C/C=C/[C@@H]2C)C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. HKI0113 Ref.
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OrganismStreptomyces sp. HKI0113
ReferenceRitzau,J.Nat.Prod.,61,(1998),1337