input word = C00035744

Metabolite InformationStructural formula
Name Sodoponin
Formula C22H32O7
Mw 408.21480338
CAS RN 27548-84-1
C_ID C00035744 ,
InChIKey GPEGTSAHBPPFTF-SXFOCBSGNA-N
InChICode InChI=1S/C22H32O7/c1-10-12-7-13(29-11(2)23)15-20-9-28-22(27,21(15,8-12)17(10)25)18(26)16(20)19(3,4)6-5-14(20)24/h12-18,24-27H,1,5-9H2,2-4H3/t12-,13+,14+,15+,16-,17-,18+,20+,21+,22-/m1/s1
SMILES C=C1[C@@H]2C[C@H](OC(C)=O)[C@H]3[C@@]45CO[C@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@@H]5O)[C@]3(C2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon japonica Ref.
PlantaeLabiataeIsodon oresbia Ref.
PlantaeLabiataeIsodon oresbius Ref.
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OrganismIsodon oresbius
ReferenceXiang,Phytochem.,65,(2004),1173