input word = C00034302

Metabolite InformationStructural formula
Name Tartrolon B
Formula C46H68BO14
Mw 844.46090688
CAS RN 156312-17-3
C_ID C00034302 ,
InChIKey HEFJSXAMPNDKSL-DZHBYMECNA-N
InChICode InChI=1S/C46H72BO14/c1-29-23-25-39-33(5)37(50)27-35(48)21-17-13-10-8-12-16-20-32(4)55-44(53)42-46-30(2)24-26-40(57-46)34(6)38(51)28-36(49)22-18-14-9-7-11-15-19-31(3)54-43(52)41-45(29,56-39)60-47(58-41,59-42)61-46/h7-14,29-36,39-42,48-49H,15-28H2,1-6H3,47H4/q-1/b11-7-,12-8-,13-10-,14-9-/t29-,30-,31-,32+,33+,34-,35-,36+,39-,40+,41+,42+,45-,46-/m0/s1
SMILES [BH4+3]123[O-][C@]45[C@H]([O-]3)C(=O)O[C@H](C)CC/C=C\C=C/CC[C@@H](CC(=O)[C@H]([C@@H]3CC[C@@H]([C@]([O-]1)([C@H]([O-]2)C(=O)O[C@H](CC/C=C\C=C/CC[C@H](CC(=O)[C@@H]([C@@H](CC[C@@H]4C)O5)C)O)C)O3)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sorangium cellulosum strain So ce678 Ref.
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