input word = C00043777

Metabolite InformationStructural formula
Name Nodulisporic acid D
(-)-Nodulisporic acid D
Formula C38H49NO4
Mw 583.36615906
CAS RN 204205-60-7
C_ID C00043777 ,
InChIKey CQCRWLOGUOKQCD-FRRWGQCMNA-N
InChICode InChI=1S/C38H49NO4/c1-21(33(41)42)10-9-14-36(6)30-12-11-23-18-26-25-19-24-22(16-28-27(24)20-34(2,3)43-35(28,4)5)17-29(25)39-32(26)38(23,8)37(30,7)15-13-31(36)40/h9-10,14,17,19-20,23,28,30-31,39-40H,11-13,15-16,18H2,1-8H3,(H,41,42)/b14-9+,21-10+/t23-,28-,30-,31-,36+,37-,38+/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)c2c([nH]1)cc1c(c2)C2=CC(OC([C@H]2C1)(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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