input word = C00043855

Metabolite InformationStructural formula
Name Punicin
(-)-Punicin
Formula C29H50O5
Mw 478.36582471
CAS RN 211118-98-8
C_ID C00043855 ,
InChIKey NDGWDYWVAIUQMZ-NGTDHHQANA-N
InChICode InChI=1S/C29H50O5/c1-18(2)8-7-9-19(3)28(32)15-12-24-22-16-25(34-20(4)30)29(33)17-21(31)10-13-27(29,6)23(22)11-14-26(24,28)5/h18-19,21-25,31-33H,7-17H2,1-6H3/t19-,21+,22+,23+,24+,25-,26+,27-,28+,29+/m1/s1
SMILES C1[C@H]2[C@@H]([C@H]3[C@](C1)([C@](CC3)([C@@H](CCCC(C)C)C)O)C)C[C@H]([C@@]1([C@@]2(CC[C@@H](C1)O)C)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
--Lophogorgia punicea Ref.
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