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 C1(=CC[C@@H]2[C@@](C[C@H]3[C@H]1C(=O)C=C3C)(CC[C@]2(O[C@@]1(CC[C@]2([C@H]1CC=C([C@H]1[C@H](C2)C(=CC1=O)C)C=O)C)[C@H](CCC=C(C)C)C)[C@H](CCC=C(C)C)C)C)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPleosporaceaeCochliobolus heterostrophus Ref.
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