input word = C00034240

Metabolite InformationStructural formula
Name Shancidin
Formula C22H20O4
Mw 348.13615913
CAS RN 177961-84-1
C_ID C00034240 ,
InChIKey MXOFIBMBNJWOFF-UHFFFAOYSA-N
InChICode InChI=1S/C22H20O4/c1-26-21-12-20(25)22-17-9-7-16(24)11-14(17)4-8-18(22)19(21)10-13-2-5-15(23)6-3-13/h2-3,5-7,9,11-12,23-25H,4,8,10H2,1H3
SMILES c1(c2c(c(c(c1)OC)Cc1ccc(cc1)O)CCc1c2ccc(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeBletilla striata Ref.
PlantaeOrchidaceaeSpiranthes sinensis Ref.
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OrganismSpiranthes sinensis
ReferenceKovacs,Phytochem.,69,(2008),1084