input word = C00034511

Metabolite InformationStructural formula
Name Fasciculic acid C
(+)-Fasciculic acid C
Formula C38H63NO11
Mw 709.44011186
CAS RN 126882-56-2
C_ID C00034511 ,
InChIKey IOMBMOCSWVAYQU-UHFFFAOYNA-N
InChICode InChI=1S/C38H63NO11/c1-33(2)26-11-10-23-24(15-28(43)38(8)22(13-14-37(23,38)7)21(20-40)9-12-27(42)34(3,4)48)36(26,6)16-25(41)32(33)50-31(47)18-35(5,49)17-29(44)39-19-30(45)46/h21-22,25-28,32,40-43,48-49H,9-20H2,1-8H3,(H,39,44)(H,45,46)/t21-,22+,25+,26+,27+,28+,32-,35+,36-,37-,38+/m0/s1
SMILES [C@@H]1([C@@H](C([C@@H]2[C@@](C1)(C1=C(CC2)[C@]2([C@@]([C@@H](C1)O)([C@H](CC2)[C@@H](CC[C@H](C(C)(O)C)O)CO)C)C)C)(C)C)OC(=O)C[C@@](CC(=O)NCC(=O)O)(O)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
--Naematoloma fasciculare Ref.
zoom in