input word = C00045263

Metabolite InformationStructural formula
Name Clavosolide A
(-)-Clavosolide A
Formula C44H72O16
Mw 856.48203625
CAS RN 407625-01-8
C_ID C00045263 ,
InChIKey CTMDQMUAHLSXCW-CBBKDSNTNA-N
InChICode InChI=1S/C44H72O16/c1-21-11-27(21)33-15-25-13-29(59-43-41(51-9)39(49-7)35(47-5)19-53-43)23(3)32(55-25)18-38(46)58-34(28-12-22(28)2)16-26-14-30(24(4)31(56-26)17-37(45)57-33)60-44-42(52-10)40(50-8)36(48-6)20-54-44/h21-36,39-44H,11-20H2,1-10H3/t21-,22-,23-,24-,25-,26-,27-,28-,29+,30+,31+,32+,33+,34+,35-,36-,39+,40+,41-,42-,43+,44+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](OC1)O[C@H]1C[C@H]2O[C@H]([C@@H]1C)CC(=O)O[C@@H](C[C@@H]1O[C@@H](CC(=O)O[C@@H](C2)[C@H]2[C@@H](C2)C)[C@@H]([C@H](C1)O[C@@H]1OC[C@H]([C@@H]([C@H]1OC)OC)OC)C)[C@H]1[C@@H](C1)C)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Myriastra clavosa Ref.
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