input word = C00026889

Metabolite InformationStructural formula
Name Nodulisporic acid A2
Formula C43H55NO8
Mw 713.39276774
CAS RN 163120-05-6
C_ID C00026889 ,
InChIKey UVWBKHSYPWQMOP-WAXGWTLINA-N
InChICode InChI=1S/C43H55NO8/c1-19(2)31-35(47)29-28-22(25-17-38(4,5)52-39(6,7)30(25)34(28)46)16-23-24-15-21-11-12-27-40(8,42(21,10)36(24)44(31)32(23)29)13-14-43(50)41(27,9)18-26(51-43)33(45)20(3)37(48)49/h16-17,20-21,26-27,30-31,33-34,45-46,50H,1,11-15,18H2,2-10H3,(H,48,49)/t20-,21-,26-,27+,30+,31-,33+,34+,40-,41-,42+,43-/m0/s1
SMILES C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@@H]2[C@]1(C)CC[C@]1(O)O[C@H]([C@H](O)[C@H](C)C(=O)O)C[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
--Nodulisporium sp. Ref.
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