input word = C00034364

Metabolite InformationStructural formula
Name 11alpha,13-Dihydrosantamarin
Formula C15H22O3
Mw 250.15689457
CAS RN 126642-74-8
C_ID C00034364 ,
InChIKey DGIMMEWTLSCNGO-WYSDFBFNNA-N
InChICode InChI=1S/C15H22O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,9-13,16H,5-7H2,1-3H3/t9-,10+,11-,12-,13+,15+/m1/s1
SMILES CC1=CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)[C@@H]3C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchillea collina Ref.
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