input word = C00026506

Metabolite InformationStructural formula
Name Nodulisporic acid A
(+)-Nodulisporic acid A
Formula C43H53NO6
Mw 679.38728843
CAS RN 163120-03-4
C_ID C00026506 ,
InChIKey UNCVXXVJJXJZII-WOVKUDADNA-N
InChICode InChI=1S/C43H53NO6/c1-21(2)33-36(47)31-30-24(27-20-39(4,5)50-40(6,7)32(27)35(30)46)19-25-26-18-23-13-14-28-41(8,16-11-12-22(3)38(48)49)29(45)15-17-42(28,9)43(23,10)37(26)44(33)34(25)31/h11-12,16,19-20,23,28-29,32-33,35,45-46H,1,13-15,17-18H2,2-10H3,(H,48,49)/b16-11+,22-12+/t23-,28-,29-,32+,33-,35+,41+,42-,43+/m0/s1
SMILES c12c(c3c4c(c1)c1c(n4[C@H](C3=O)C(=C)C)[C@]3([C@H](C1)CC[C@@H]1[C@@]3(CC[C@@H]([C@@]1(/C=C/C=C(/C(=O)O)\C)C)O)C)C)[C@H]([C@H]1C2=CC(OC1(C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
--Nodulisporium sp. Ref.
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OrganismNodulisporium sp.
ReferenceOndeyka,J.Am.Chem.Soc.,119,(1997),8809