input word = C00043772

Metabolite InformationStructural formula
Name Nodulisporic acid B1
Formula C43H55NO6
Mw 681.4029385
CAS RN 478796-08-6
C_ID C00043772 ,
InChIKey PLSGFSOLCKJLJQ-QUKABIRGNA-N
InChICode InChI=1S/C43H55NO6/c1-21(2)30-18-28-32-25(29-20-38(4,5)50-39(6,7)33(29)35(32)45)17-26-27-16-23-11-12-31-40(8,42(23,10)36(27)44(30)34(26)28)13-14-43(48)41(31,9)19-24(49-43)15-22(3)37(46)47/h15,17,20,23-24,30-31,33,35,45,48H,1,11-14,16,18-19H2,2-10H3,(H,46,47)/b22-15+/t23-,24+,30-,31+,33+,35+,40-,41-,42+,43-/m0/s1
SMILES C=C(C)[C@H]1Cc2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@@H]2[C@]1(C)CC[C@]1(O)O[C@H](/C=C(C)C(=O)O)C[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
--Nodulisporium sp.MF5954 Ref.
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