input word = C00060512

Metabolite InformationStructural formula
Name (4aS,4bS,7R,7aS,8aR,8bR,10aS)-Dodecahydro-1,1,4a,7a-tetramethyl-3H-7,8b-methanooxireno[3,4]cyclohepta[1,2-f]-2-benzopyran-3-one
Formula C19H28O3
Mw 304.20384476
CAS RN 182800-31-3
C_ID C00060512
InChIKey LLKRJRVDKASBCG-XUXLEOEXSA-N
InChICode InChI=1S/C19H28O3/c1-16(2)12-7-8-19-9-11(18(4)15(19)22-18)5-6-13(19)17(12,3)10-14(20)21-16/h11-13,15H,5-10H2,1-4H3/t11-,12-,13+,15+,17-,18+,19-/m1/s1
SMILES CC1(C)OC(=O)CC2(C)C1CCC13CC(CCC21)C1(C)OC31
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeOryza sativa Ref.
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