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 C=C1C(=O)[C@]23C[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O
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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