input word = C00043771

Metabolite InformationStructural formula
Name Nodulisporic acid B
(+)-Nodulisporic acid B
Formula C43H55NO5
Mw 665.40802387
CAS RN 478796-07-5
C_ID C00043771 ,
InChIKey WCAKZBQMVHYHED-HYJUHIMRNA-N
InChICode InChI=1S/C43H55NO5/c1-22(2)30-20-28-33-25(29-21-39(4,5)49-40(6,7)34(29)36(33)46)19-26-27-18-24-13-14-31-41(8,16-11-12-23(3)38(47)48)32(45)15-17-42(31,9)43(24,10)37(27)44(30)35(26)28/h11-12,16,19,21,24,30-32,34,36,45-46H,1,13-15,17-18,20H2,2-10H3,(H,47,48)/b16-11+,23-12+/t24-,30-,31-,32-,34+,36+,41+,42-,43+/m0/s1
SMILES [C@H]12[C@@]([C@@]3([C@@H](CC1)[C@@]([C@H](CC3)O)(C)/C=C/C=C(/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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