input word = C00037816

Metabolite InformationStructural formula
Name Shikokianin
Formula C24H32O8
Mw 448.209718
CAS RN 24267-69-4
C_ID C00037816 ,
InChIKey FKKSXNLVJJDMAR-NNCGVCPDNA-N
InChICode InChI=1S/C24H32O8/c1-11-14-8-15(31-12(2)25)17-22-10-30-24(29,23(17,9-14)19(11)27)20(28)18(22)21(4,5)7-6-16(22)32-13(3)26/h14-18,20,28-29H,1,6-10H2,2-5H3/t14-,15-,16+,17+,18-,20+,22?,23+,24-/m1/s1
SMILES C1CC([C@@H]2[C@]3([C@H]1OC(=O)C)[C@H]1[C@]4([C@]([C@H]2O)(O)OC3)C(=O)C(=C)[C@H](C[C@H]1OC(=O)C)C4)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon enanderianus Ref.
PlantaeLabiataeIsodon japonica Ref.
PlantaeLabiataeIsodon parvifolius Ref.
PlantaeLamiaceaeRabdosia shikokiana Ref.
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OrganismIsodon japonica
ReferenceXu, et al., CCMM, 21, (1996), 678.

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