input word = C00012022

Metabolite InformationStructural formula
Name [3R-(3alpha,3aalpha,5alpha,6beta,7aalpha)]-6-Ethenylhexahydro-5-[1-(hydroxymethyl)ethenyl]-3,6-dimethyl-(3H)-benzofuranone
Formula C15H22O3
Mw 250.15689457
CAS RN 100045-46-3
C_ID C00012022 ,
InChIKey HTGZOVAKTMEWEJ-XOTRIRMANA-N
InChICode InChI=1S/C15H22O3/c1-5-15(4)7-13-11(10(3)14(17)18-13)6-12(15)9(2)8-16/h5,10-13,16H,1-2,6-8H2,3-4H3/t10-,11-,12-,13-,15+/m1/s1
SMILES C1[C@H]2[C@@H](C[C@]([C@H]1C(=C)CO)(C)C=C)OC(=O)[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeStevia achalensis Ref.
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