input word = C00026888

Metabolite InformationStructural formula
Name Nodulisporic acid A1
(-)-Nodulisporic acid A1
Formula C43H53NO7
Mw 695.38220305
CAS RN 163120-04-5
C_ID C00026888 ,
InChIKey ISIUAWYGRFWXQR-APKRJJCZNA-N
InChICode InChI=1S/C43H53NO7/c1-20(2)32-35(46)30-29-24(27-19-38(4,5)51-39(6,7)31(27)34(29)45)17-25-26-16-22-11-12-28-40(8,42(22,10)36(26)44(32)33(25)30)13-14-43(49)41(28,9)18-23(50-43)15-21(3)37(47)48/h15,17,19,22-23,28,31-32,34,45,49H,1,11-14,16,18H2,2-10H3,(H,47,48)/b21-15+/t22-,23+,28+,31+,32-,34+,40-,41-,42+,43-/m0/s1
SMILES C1(OC([C@@H]2C(=C1)c1c([C@H]2O)c2c3c(c1)c1c(n3[C@H](C2=O)C(=C)C)[C@]2([C@H](C1)CC[C@@H]1[C@@]2(CC[C@]2([C@]1(C[C@H](O2)/C=C(/C(=O)O)\C)C)O)C)C)(C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
--Nodulisporium sp. Ref.
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