input word = C00055910

Metabolite InformationStructural formula
Name Guttiferone S
Formula C33H42O5
Mw 518.30322445
CAS RN 1346621-72-4
C_ID C00055910
InChIKey VQQBQPQXIOXZPC-CYYKCBRYSA-N
InChICode InChI=1S/C33H42O5/c1-20(2)13-14-23-19-33(18-15-21(3)4)29(35)25(27(34)22-11-9-8-10-12-22)28-26(30(33)36)32(23,7)17-16-24(38-28)31(5,6)37/h8-13,15,23-24,26,37H,14,16-19H2,1-7H3/t23-,24?,26-,32+,33+/m1/s1
SMILES CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C3OC(C(C)(C)O)CC[C@]1(C)[C@H]3C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia cochinchinensis Ref.
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