input word = C00031621

Metabolite InformationStructural formula
Name Ballodiolic acid
Formula C20H34O4
Mw 338.24570957
CAS RN 700871-59-6
C_ID C00031621 ,
InChIKey BIRYTQFFNQPJBQ-NARMSLENNA-N
InChICode InChI=1S/C20H34O4/c1-14-7-10-20(3)16(18(23)24)5-4-6-17(20)19(14,2)11-8-15(13-22)9-12-21/h5,14-15,17,21-22H,4,6-13H2,1-3H3,(H,23,24)/t14-,15+,17-,19+,20+/m1/s1
SMILES C1C=C([C@]2([C@H](C1)[C@]([C@@H](CC2)C)(CC[C@@H](CCO)CO)C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeBallota limbata Ref.
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