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@H]12[C@@]([C@@]3([C@@H](CC1)[C@]1([C@](CC3)(O[C@@H](C1)[C@@H]([C@@H](C(=O)O)C)O)O)C)C)(c1c(C2)c2c3n1[C@@H](Cc3c1c(c2)C2=CC(OC([C@H]2[C@@H]1O)(C)C)(C)C)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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