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 CC(=CC(C)CCCCC(=O)O)C1OC2C=CC1OC(=O)/C=CC=C/C=CC1OC3CC1OC(/C=C/CC1OC(CC(O)/C=C/CC/C=C/C2)CC(O)C1C)C3C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaPolyangiaceaePolyangium cellulosum So ce12 Ref.
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