input word = C00051357

Metabolite InformationStructural formula
Name Lycernuic acid D
Formula C30H50O6
Mw 506.36073933
CAS RN 448260-73-9
C_ID C00051357
InChIKey LFQFQXQESAPEIA-OHCOCXNQNA-N
InChICode InChI=1S/C30H50O6/c1-25(2)20-15-23(33)30(36)16-26(3)12-9-18-27(4,14-11-22(32)29(18,6)24(34)35)17(26)7-8-19(30)28(20,5)13-10-21(25)31/h17-23,31-33,36H,7-16H2,1-6H3,(H,34,35)/t17-,18+,19+,20-,21+,22-,23-,26-,27+,28+,29+,30+/m0/s1
SMILES CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@]4(C)CC[C@@H](O)[C@]5(C)OC=O)C[C@]3(O)[C@@H](O)C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLycopodiaceaeLycopodium cernuum Ref.
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