input word = C00028212

Metabolite InformationStructural formula
Name Disorazole B1
Formula C42H50N2O10
Mw 742.34654583
CAS RN 158252-69-8
C_ID C00028212 ,
InChIKey FOQGKCOTKQAXPE-GRCFTZNPNA-N
InChICode InChI=1S/C42H50N2O10/c1-7-15-33(45)41(3,4)35-21-13-19-31-29(51-31)17-9-12-24-38-44-28(26-50-38)40(48)54-36(42(5,6)34(46)16-8-2)22-14-20-32-30(52-32)18-10-11-23-37-43-27(25-49-37)39(47)53-35/h7-20,23-26,29-36,45-46H,21-22H2,1-6H3/b15-7+,16-8+,17-9-,18-10-,19-13+,20-14+,23-11+,24-12+/t29-,30+,31-,32-,33-,34+,35+,36+/m1/s1
SMILES C/C=C/C(O)C(C)(C)C1C/C=C/C2OC2/C=CC=Cc2nc(co2)C(=O)OC(C(C)(C)C(O)/C=C/C)C/C=C/C2OC2/C=CC=Cc2nc(co2)C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Indole-3 GGPP
Organism
Kingdom Family Species Reference
--Sorangium cellulosum Ref.
zoom in