input word = C00043773

Metabolite InformationStructural formula
Name Nodulisporic acid B2
Formula C43H57NO7
Mw 699.41350318
CAS RN 478796-09-7
C_ID C00043773 ,
InChIKey NAYPRGXEKUQOLV-HGFAROTHNA-N
InChICode InChI=1S/C43H57NO7/c1-20(2)28-17-26-31-23(27-18-38(4,5)51-39(6,7)32(27)35(31)46)16-24-25-15-22-11-12-30-40(8,42(22,10)36(25)44(28)33(24)26)13-14-43(49)41(30,9)19-29(50-43)34(45)21(3)37(47)48/h16,18,21-22,28-30,32,34-35,45-46,49H,1,11-15,17,19H2,2-10H3,(H,47,48)/t21-,22-,28-,29-,30+,32+,34+,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@H](O)[C@H](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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OrganismNodulisporium sp.MF5954
ReferenceSingh,J.Nat.Prod.,67,(2004),1496