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 C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)[C@@H](O)[C@@H]2C(C)(C)[C@H]4CC(=O)[C@@]32CO4)[C@@H]1OC(C)=O
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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OrganismIsodon eriocalyx var. laxiflora
ReferenceNiu,J.Nat.Prod.,65,(2002),1892