input word = C00048872

Metabolite InformationStructural formula
Name Tagalsin N
(-)-Tagalsin N
Formula C40H58O2
Mw 570.44368109
CAS RN 1126641-06-2
C_ID C00048872 ,
InChIKey LLWUOVYJENDSQI-HFLVTOIYNA-N
InChICode InChI=1S/C40H58O2/c1-10-36(5)18-19-39(8)27(23-36)14-17-38(7)25(2)34-28(20-32(38)39)30-21-29-26(22-37(30,6)24-33(41)42-34)12-13-31-35(3,4)15-11-16-40(29,31)9/h10,22,27,29,31-32H,1,11-21,23-24H2,2-9H3/t27-,29-,31-,32-,36-,37+,38+,39-,40+/m0/s1
SMILES C=C[C@@]1(C)CC[C@@]2(C)[C@@H](CC[C@]3(C)C(C)=C4OC(=O)C[C@@]5(C)C=C6CC[C@H]7C(C)(C)CCC[C@]7(C)[C@H]6CC5=C4C[C@H]23)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhizophoraceaeCeriops tagal Ref.
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