input word = C00051688

Metabolite InformationStructural formula
Name Myricolal
Formula C30H48O2
Mw 440.36543078
CAS RN 6060-07-7
C_ID C00051688
InChIKey IFVLEXPVJXHCAY-WKUFMRAINA-N
InChICode InChI=1S/C30H48O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,19-21,23-24,32H,8-9,11-18H2,1-7H3/t20-,21+,23-,24-,27-,28+,29+,30-/m0/s1
SMILES CC1(C)CC[C@]2(C=O)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyricaceaeMyrica gale Ref.
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