input word = C00050910

Metabolite InformationStructural formula
Name Isodoglutinosin B
Formula C20H32O3
Mw 320.23514489
CAS RN 192863-87-9
C_ID C00050910
InChIKey AIBLHAHWWHPWAB-OQIFINGRNA-N
InChICode InChI=1S/C20H32O3/c1-17(2)6-5-15(22)18(3)14(17)4-7-19-9-12-8-13(16(18)19)23-20(12,10-19)11-21/h12-16,21-22H,4-11H2,1-3H3/t12-,13+,14-,15+,16+,18+,19+,20-/m1/s1
SMILES CC1(C)CC[C@H](O)[C@]2(C)[C@@H]1CC[C@]13C[C@H]4C[C@H](O[C@@]4(CO)C1)[C@H]32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon glutinosa Ref.
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