input word = C00051356

Metabolite InformationStructural formula
Name Lycernuic acid C
Formula C30H50O7
Mw 522.35565395
CAS RN 448260-71-7
C_ID C00051356
InChIKey XRUZFVPVBDPPSH-VLBAQVGBNA-N
InChICode InChI=1S/C30H50O7/c1-25-11-8-18-26(2,13-10-22(33)29(18,5)24(35)36)17(25)6-7-19-27(3)12-9-21(32)28(4,16-31)20(27)14-23(34)30(19,37)15-25/h17-23,31-34,37H,6-16H2,1-5H3,(H,35,36)/t17-,18+,19+,20+,21+,22-,23-,25-,26+,27+,28+,29+,30+/m0/s1
SMILES C[C@@]12CC[C@@H]3[C@](C)(CC[C@H](O)[C@]3(C)OC=O)[C@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)[C@](C)(CO)[C@@H]3C[C@H](O)[C@@]1(O)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLycopodiaceaeLycopodium cernuum Ref.
zoom in