input word = C00046124

Metabolite InformationStructural formula
Name Maoecrystal A
Formula C22H28O6
Mw 388.18858863
CAS RN 96850-30-5
C_ID C00046124 ,
InChIKey DCULYKVTBAXAER-KPMKJTJDNA-N
InChICode InChI=1S/C22H28O6/c1-10-12-5-6-13-21(8-12,19(10)28-11(2)23)18(26)16(25)17-20(3,4)15-7-14(24)22(13,17)9-27-15/h12-13,15-17,19,25H,1,5-9H2,2-4H3/t12-,13-,15-,16+,17-,19-,21-,22-/m1/s1
SMILES C1[C@@H]2C([C@@H]3[C@@](C1=O)([C@H]1[C@@]4(C(=O)[C@H]3O)C[C@@H](CC1)C(=C)[C@H]4OC(=O)C)CO2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon eriocalyx var. laxiflora Ref.
PlantaeLabiataeIsodon sinuolata Ref.
PlantaeLamiaceaeRabdosia eriocalyx Ref.
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OrganismRabdosia eriocalyx
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001).

Niu, et al., Journal of Natural Products, 65, (2002), 1892