input word = C00051482

Metabolite InformationStructural formula
Name Maragenin II
Formula C29H44O2
Mw 424.33413065
CAS RN 71545-20-5
C_ID C00051482
InChIKey YBMSCCGVVSSARE-RKTISYIRNA-N
InChICode InChI=1S/C29H44O2/c1-25(2)13-10-18-19(16-25)20-8-9-23-27(5)14-12-24(31)26(3,4)22(27)11-15-28(23,6)29(20,7)17-21(18)30/h8,22-24,31H,9-17H2,1-7H3/t22-,23+,24-,27-,28+,29+/m0/s1
SMILES CC1(C)CCC2=C(C1)C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia japonica Ref.
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