input word = C00012475

Metabolite InformationStructural formula
Name [1R-(1R*,2S*,6S*,9S*)]-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene-2,6-diol 6-acetate 2-benzoate
Formula C24H30O4
Mw 382.21440945
CAS RN 77355-65-8
C_ID C00012475 ,
InChIKey UROUQCIZHRJMJV-PTNGSMBKNA-N
InChICode InChI=1S/C24H30O4/c1-15-11-19(27-17(3)25)13-16(2)20-14-24(4,5)22(20)21(12-15)28-23(26)18-9-7-6-8-10-18/h6-11,19-22H,2,12-14H2,1,3-5H3/b15-11-/t19-,20-,21-,22-/m0/s1
SMILES C1(=C)C[C@H](/C=C(\C[C@@H]([C@@H]2[C@H]1CC2(C)C)OC(=O)c1ccccc1)/C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSolidago nemoralis Ref.
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