input word = C00049608

Metabolite InformationStructural formula
Name 6-epi-3-Anhydroophiobolin B
Formula C30H70O3
Mw 478.5324961
CAS RN 231605-69-9
C_ID C00049608 ,
InChIKey GASPABWMCIDBPK-HCPPQHMINA-N
InChICode InChI=1S/C50H70O5/c1-31(2)13-11-15-35(7)49(23-21-47(9)27-39-33(5)25-41(53)45(39)37(29-51)17-19-43(47)49)55-50(36(8)16-12-14-32(3)4)24-22-48(10)28-40-34(6)26-42(54)46(40)38(30-52)18-20-44(48)50/h13-14,17-18,25-26,29-30,35-36,39-40,43-46H,11-12,15-16,19-24,27-28H2,1-10H3/b37-17-,38-18-/t35-,36-,39+,40+,43+,44+,45-,46-,47+,48+,49-,50-/m0/s1
SMILES CC(C)=CCC[C@H](C)[C@@]1(O[C@]2([C@@H](C)CCC=C(C)C)CC[C@]3(C)C[C@@H]4C(C)=CC(=O)[C@H]4/C(C=O)=CC[C@H]32)CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3/C(C=O)=CC[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPleosporaceaeCochliobolus heterostrophus Ref.
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