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 CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@](O)([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
--Lophogorgia punicea Ref.
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