input word = C00021997

Metabolite InformationStructural formula
Name Sambucinic acid
Formula C15H22O3
Mw 250.15689457
CAS RN 115491-57-1
C_ID C00021997 ,
InChIKey UWZMKQPUYRHXRE-VTLJWJMONA-N
InChICode InChI=1S/C15H22O3/c1-9-4-6-13(2)8-10(9)15(12(17)18)7-5-11(16)14(13,15)3/h4,10-11,16H,5-8H2,1-3H3,(H,17,18)/t10-,11-,13-,14-,15+/m1/s1
SMILES CC1=CC[C@]2(C)C[C@H]1[C@]1(C(=O)O)CC[C@@H](O)[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium sambusinum Ref.
zoom in