input word = C00040102

Metabolite InformationStructural formula
Name Pterokaurane M2
(-)-Pterokaurane M2
Formula C20H32O3
Mw 320.23514489
CAS RN 1008122-32-4
C_ID C00040102 ,
InChIKey CUGVUJOOXAEVRT-ZOBTUUMYNA-N
InChICode InChI=1S/C20H32O4/c1-11-13-4-5-15-19(3)9-12(22)8-18(2,10-21)14(19)6-7-20(15,16(11)23)17(13)24/h12-17,21-24H,1,4-10H2,2-3H3/t12-,13+,14-,15+,16+,17-,18-,19-,20-/m1/s1
SMILES [C@@H]1([C@]23CC[C@@H]4[C@](C[C@H](C[C@]4([C@@H]2CC[C@H]1C(=C)[C@@H]3O)C)O)(CO)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaePieris multifida Poir. Ref.
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