input word = C00003481

Metabolite InformationStructural formula
Name Shikodonin
Formula C20H26O6
Mw 362.17293856
CAS RN 66548-00-3
C_ID C00003481 ,
InChIKey BTRYMTRPHJVMRG-YOWNZUJSNA-N
InChICode InChI=1S/C20H26O6/c1-10-11-6-12(21)13-19(9-26-17(24)20(13,7-11)15(10)22)5-3-4-18(2)8-25-16(23)14(18)19/h11-14,16,21,23H,1,3-9H2,2H3/t11-,12-,13+,14-,16+,18+,19+,20+/m1/s1
SMILES C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(CCC[C@@]2(C)CO[C@H](O)C21)COC3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon shikokiana var.occidentalis Ref.
PlantaeLabiataeIsodon shikokianus var. intermedius Ref.
PlantaeLamiaceaeRabdosia shikokiana Ref.
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OrganismIsodon shikokiana var.occidentalis
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Sun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)