input word = C00039416

Metabolite InformationStructural formula
Name Inflexarabdonin I
Formula C20H28O4
Mw 332.19875938
CAS RN 148225-29-0
C_ID C00039416 ,
InChIKey ONIKMXSBGJJNBQ-ZDQNOSPCNA-N
InChICode InChI=1S/C20H28O4/c1-10-11-7-12(21)16-19(4)6-5-14(23)18(2,3)15(19)13(22)9-20(16,8-11)17(10)24/h11-13,15-16,21-22H,1,5-9H2,2-4H3/t11-,12+,13+,15-,16+,19-,20+/m1/s1
SMILES C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)CCC(=O)C(C)(C)[C@H]1[C@@H](O)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon excisus Ref.
PlantaeLabiataeIsodon inflexa Ref.
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OrganismIsodon inflexa
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)