input word = C00058477

Metabolite InformationStructural formula
Name Erubescenone
Formula C28H38O3
Mw 422.28209508
CAS RN 187092-04-2
C_ID C00058477
InChIKey WXHZBRZKRFUBDU-ZMTXOXDKSA-N
InChICode InChI=1S/C28H38O3/c1-16(2)28(31)14-10-18-9-12-26(5)20(23(18)28)7-8-22-25(4)15-21(29)24(30)17(3)19(25)11-13-27(22,26)6/h7,9,19,22-23,30-31H,1,8,10-15H2,2-6H3/t19-,22+,23+,25-,26+,27+,28-/m0/s1
SMILES C=C(C)[C@@]1(O)CCC2=CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(=O)C(O)=C(C)[C@@H]5CC[C@]43C)[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeGardenia erubescens Ref.
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