input word = C00055203

Metabolite InformationStructural formula
Name Barrigenol A2
Formula C30H50O4
Mw 474.37091008
CAS RN 53227-91-1
C_ID C00055203
InChIKey CTNHZEZBBGIUJB-HRQAAHFGSA-N
InChICode InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20-,21+,22-,23-,24+,27-,28+,29+,30+/m0/s1
SMILES CC(C[C@@H]1O)(C)C[C@@]2([C@]1([C@H](O)C[C@@]3(C2=CC[C@]4([C@]3(CC[C@@]5([C@@]4(CC[C@@H](C5(C)C)O)C)[H])C)[H])C)CO)[H]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia japonica Ref.
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