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 C12=C3C(=C([C@@]4([C@H](C3)[C@@]3([C@@H](CC4)C[C@](CC3)(C=C)C)C)C)C)OC(=O)C[C@]1(C=C1[C@H](C2)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhizophoraceaeCeriops tagal Ref.
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