input word = C00003443

Metabolite InformationStructural formula
Name Isodonal
Formula C22H28O7
Mw 404.18350325
CAS RN 16964-56-0
C_ID C00003443 ,
InChIKey QKDLQFSLLCQTOH-WNKPJLINNA-N
InChICode InChI=1S/C22H28O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)29-16-5-6-20(3,4)15(9-23)22(16,17)10-28-12(2)24/h9,13-17,25H,1,5-8,10H2,2-4H3/t13-,14+,15-,16+,17-,21+,22+/m1/s1
SMILES C1CC([C@H]([C@]2([C@H]1OC(=O)[C@]13[C@H]2[C@H](C[C@H](C1)C(=C)C3=O)O)COC(=O)C)C=O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon japonica Ref.
PlantaeLabiataeIsodon japonicus Ref.
PlantaeLabiataeIsodon rubescens var. lushanensis Ref.
PlantaeLabiataeIsodon sinuolata Ref.
PlantaeLamiaceaeRabdosia macrophylla Ref.
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