input word = C00017835

Metabolite InformationStructural formula
Name Sorangicin B
Formula C47H66O10
Mw 790.46559833
CAS RN 107745-54-0
C_ID C00017835 ,
InChIKey RFMDZQXDVDIKRD-ROLKAEJINA-N
InChICode InChI=1S/C47H66O10/c1-31(17-14-15-23-45(50)51)27-32(2)47-42-26-25-36(54-47)19-11-7-5-6-10-18-35(48)28-37-29-38(49)33(3)39(53-37)21-16-22-40-34(4)43-30-44(55-40)41(56-43)20-12-8-9-13-24-46(52)57-42/h7-13,16,18,20,22,24-27,31,33-44,47-49H,5-6,14-15,17,19,21,23,28-30H2,1-4H3,(H,50,51)/b9-8-,11-7+,18-10+,20-12-,22-16+,24-13-,32-27-/t31-,33-,34+,35+,36-,37-,38+,39+,40+,41-,42-,43-,44-,47-/m0/s1
SMILES [C@@H]12O[C@H]3[C@H]([C@@H](O[C@H]1/C=C\C=C/C=C\C(=O)O[C@H]1C=C[C@H](C/C=C/CC/C=C/[C@H](C[C@@H]4O[C@H](C/C=C/3)[C@H]([C@@H](C4)O)C)O)O[C@H]1/C(=C\[C@H](CCCCC(=O)O)C)/C)C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaPolyangiaceaePolyangium cellulosum So ce12 Ref.
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