input word = C00035710

Metabolite InformationStructural formula
Name Oreskaurin B
(-)-Oreskaurin B
Formula C22H30O6
Mw 390.20423869
CAS RN 720666-98-8
C_ID C00035710 ,
InChIKey ZRKVMXWMNDIJCN-QKFKNEESNA-N
InChICode InChI=1S/C22H30O6/c1-10-12-8-21(17(10)24)15(14-13(12)28-14)20-7-5-6-19(3,4)16(20)18(27-11(2)23)22(21,25)26-9-20/h12-18,24-25H,1,5-9H2,2-4H3/t12?,13-,14-,15-,16+,17+,18-,20+,21+,22+/m0/s1
SMILES C1[C@]23[C@@H](C(CCC2)(C)C)[C@@H]([C@]([C@@]24[C@H]3[C@@H]3[C@H]([C@H](C2)C(=C)[C@H]4O)O3)(O1)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon oresbia Ref.
PlantaeLabiataeIsodon oresbius Ref.
PlantaeLabiataeIsodon sinuolata Ref.
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OrganismIsodon sinuolata
ReferenceHe,Phytochem.,70,(2009),1462