input word = C00028213

Metabolite InformationStructural formula
Name Disorazole C1
Formula C44H58N2O10
Mw 774.40914609
CAS RN 158181-52-3
C_ID C00028213 ,
InChIKey FGVAPNZAWLGHCU-DUHJDKEXNA-N
InChICode InChI=1S/C44H58N2O10/c1-9-21-35(47)43(3,4)37-25-19-15-11-13-17-23-32(52-8)28-40-46-34(30-54-40)42(50)56-38(44(5,6)36(48)22-10-2)26-20-16-12-14-18-24-31(51-7)27-39-45-33(29-53-39)41(49)55-37/h9-24,29-32,35-38,47-48H,25-28H2,1-8H3/b13-11+,14-12+,19-15+,20-16+,21-9+,22-10+,23-17+,24-18+/t31-,32-,35-,36-,37-,38-/m0/s1
SMILES O1C(=O)c2nc(C[C@H](/C=C/C=C/C=C/C[C@H](OC(=O)c3nc(C[C@H](/C=C/C=C/C=C/C[C@H]1C(C)(C)[C@H](/C=C/C)O)OC)oc3)C(C)(C)[C@H](/C=C/C)O)OC)oc2
Start Substs in Alk. Biosynthesis (Prediction) L-His
Organism
Kingdom Family Species Reference
--Sorangium cellulosum Ref.
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OrganismSorangium cellulosum
ReferenceHartung,Org.Lett.,4,(2002),3239