input word = C00018108

Metabolite InformationStructural formula
Name (+)-Aplasmomycin
ICI 122378
Formula C40H60BO14
Mw 764.39830663
CAS RN 61230-25-9
C_ID C00018108 ,
InChIKey CNRCPKZZPWGOAI-HWAYABPNNA-N
InChICode InChI=1S/C40H64BO14/c1-21-15-17-31-37(5,6)29(42)13-9-11-26-20-28(24(4)47-26)49-36(45)34-40-22(2)16-18-32(51-40)38(7,8)30(43)14-10-12-25-19-27(23(3)46-25)48-35(44)33-39(21,50-31)54-41(52-33,53-34)55-40/h9-12,21-34,42-43H,13-20H2,1-8H3,41H4/q-1/b11-9-,12-10-/t21-,22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,32-,33+,34+,39-,40-/m0/s1
SMILES O1[C@@]23[C@H](CC[C@H]1C([C@H](C/C=C\[C@@H]1O[C@H](C)[C@@H](OC(=O)[C@@H]4[C@]56O[C@@H](CC[C@@H]5C)C([C@@H](C/C=C\[C@H]5O[C@H](C)[C@H](OC(=O)[C@H]3[O-][BH4+3]([O-]2)([O-]6)[O-]4)C5)O)(C)C)C1)O)(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces griseus SS-20 Ref.
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OrganismStreptomyces griseus SS-20
ReferenceOkami,J. Antibiotics,29,(1976),1019