input word = C00060871

Metabolite InformationStructural formula
Name (3alpha,5alpha,7alpha,13alpha,17alpha)-7-(Acetyloxy)-3-hydroxy-4,4,8-trimethyl-card-14-enolide
Formula C28H42O5
Mw 458.30322445
CAS RN 2237974-40-0
C_ID C00060871
InChIKey UNZRCMTTXLJNHD-ILGCCRKOSA-N
InChICode InChI=1S/C28H42O5/c1-16(29)33-23-14-21-25(2,3)22(30)10-12-27(21,5)20-9-11-26(4)18(17-13-24(31)32-15-17)7-8-19(26)28(20,23)6/h8,17-18,20-23,30H,7,9-15H2,1-6H3/t17-,18-,20+,21-,22+,23+,26-,27+,28-/m0/s1
SMILES CC(=O)OC1CC2C(C)(C)C(O)CCC2(C)C2CCC3(C)C(=CCC3C3COC(=O)C3)C12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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