input word = C00043775

Metabolite InformationStructural formula
Name Nodulisporic acid C1
(-)-Nodulisporic acid C1
Formula C43H57NO6
Mw 683.41858856
CAS RN 204205-72-1
C_ID C00043775 ,
InChIKey MCGZCRGDIAILMI-DAAREIOYNA-N
InChICode InChI=1S/C43H57NO6/c1-22(2)11-13-26-32-27(30-21-38(4,5)50-39(6,7)33(30)35(32)45)19-28-29-18-24-12-14-31-40(8,42(24,10)36(29)44-34(26)28)15-16-43(48)41(31,9)20-25(49-43)17-23(3)37(46)47/h11,17,19,21,24-25,31,33,35,44-45,48H,12-16,18,20H2,1-10H3,(H,46,47)/b23-17+/t24-,25+,31+,33+,35+,40-,41-,42+,43-/m0/s1
SMILES [C@H]12[C@@]([C@@]3([C@@H](CC1)[C@]1([C@](CC3)(O[C@@H](C1)/C=C(/C(=O)O)\C)O)C)C)(c1c(C2)c2c([nH]1)c(c1c(c2)C2=CC(OC([C@H]2[C@@H]1O)(C)C)(C)C)CC=C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
--Nodulisporium sp.MF5954 Ref.
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