input word = C00058520

Metabolite InformationStructural formula
Name Isoaglaiol
Formula C30H50O2
Mw 442.38108084
CAS RN 202656-14-2
C_ID C00058520
InChIKey ILQUAQTXYDCHSY-WYAOSOTQSA-N
InChICode InChI=1S/C30H50O2/c1-19(9-12-25-27(4,5)32-25)20-13-17-29(7)21(20)10-11-23-28(6)16-15-24(31)26(2,3)22(28)14-18-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22+,23-,24+,25-,28+,29-,30-/m1/s1
SMILES C=C(CC[C@H]1OC1(C)C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia japonica Ref.
PlantaeTheaceaeCamellia sasanqua Ref.
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